Geometry & MOs

Info

ID:	442701
PubChem CID:	135255835
Reduced:	OC20H38 (1)
Stoich.:	AB20C38 (1)
Weight, g/mol:	736.369681
ΔH_f, kcal/mol:	-133.32
Dipole, Da:	2.14
IP(EA), eV:	-9.72(3.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]cyclohexa-1,3-dien-5-yn-1-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate

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

CC(C)(C)C1CC(CC(C1O)C(C)(C)C)C2CCCCC2

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

CC(C)(C)C1CC(CC(C1O)C(C)(C)C)C2CCCCC2

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):