Geometry & MOs

Info

ID:

320071

PubChem CID:

126658133

Reduced:

O7N9C53H65 (1)

Stoich.:

A7B9C53D65 (1)

Weight, g/mol:

923.469395

ΔHf, kcal/mol:

-200.08

Dipole, Da:

9.81

IP(EA), eV:

 -8.19(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[1-[(2S)-2-[6-[(2R,5R)-5-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-1-(4-phenoxyphenyl)pyrrolidin-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)N1CCC[C@H]1C2=NC3=C(N2)CC(C=C3)(C)[C@H]4CC[C@@H](N4C5=CC=C(C=C5)OC6=CC=CC=C6)C7=CC8=C(C=C7)N=C(N8)[C@@H]9CCCN9C(=O)[C@H](C(C)C)NC(=O)OC)NC(=O)OC

DOS

IR

Vibrations