Geometry & MOs

Info

ID:

83120

PubChem CID:

49857171

Reduced:

N4O13C81H152 (1)

Stoich.:

A4B13C81D152 (1)

Weight, g/mol:

759.328151

ΔHf, kcal/mol:

-851.45

Dipole, Da:

1.88

IP(EA), eV:

 -9.58(-0.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-(N-[(2S)-2-[6-[4-[2-[(2S)-1-(2-pyridin-3-ylacetyl)pyrrolidin-2-yl]-3H-benzimidazol-5-yl]phenyl]-1H-benzimidazol-2-yl]pyrrolidine-1-carbonyl]anilino)carbamate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCC/C=C/[C@H]([C@H](COC(=O)C(CCC(=O)O)N)NC(=O)CCCCCCCCCCCCCCCCCOCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COC(=O)C(CC(=O)O)N)[C@@H](/C=C/CCCCCCCCCCCCC)O)O

DOS

IR

Vibrations