Geometry & MOs

Info

ID:	300565
PubChem CID:	121360544
Reduced:	N2F3H10C14 (2)
Stoich.:	A2B3C10D14 (2)
Weight, g/mol:	637.293405
ΔH_f, kcal/mol:	-183.22
Dipole, Da:	3.93
IP(EA), eV:	-8.19(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2R,3S,6S,9R,12R)-9-benzyl-2-(tert-butylcarbamoyl)-5,8,11-trioxo-3-(phenylsulfanylmethyl)-1,4,7,10-tetrazabicyclo[10.3.0]pentadecan-6-yl]propanoic 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

CCN=C1C=C2C(=NC3=CC=CC=C3N2C4=CC=CC(=C4)C(F)(F)F)C=C1NC5=CC=CC(=C5)C(F)(F)F

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

CCN=C1C=C2C(=NC3=CC=CC=C3N2C4=CC=CC(=C4)C(F)(F)F)C=C1NC5=CC=CC(=C5)C(F)(F)F

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):