Geometry & MOs

Info

ID:	299580
PubChem CID:	117688026
Reduced:	ClN3S3F4O4H18C24 (1)
Stoich.:	AB3C3D4E4F18G24 (1)
Weight, g/mol:	786.385331
ΔH_f, kcal/mol:	-233.58
Dipole, Da:	5.79
IP(EA), eV:	-8.51(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(1S,3S,5S)-3-[5-[4-[2-[4-[2-[(1S,3S,5R)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]ethynyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-methyl-4-oxobutyl]-methylcarbamic acid

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

COC1=CC(=C(C=C1)CN(C2=NN=CS2)S(=O)(=O)C3=CC(=C(C=C3F)SC4=CC=CC=C4C(F)(F)F)Cl)OC

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

COC1=CC(=C(C=C1)CN(C2=NN=CS2)S(=O)(=O)C3=CC(=C(C=C3F)SC4=CC=CC=C4C(F)(F)F)Cl)OC

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):