Geometry & MOs

Info

ID:

320097

PubChem CID:

126658192

Reduced:

O3N4C14H16 (1)

Stoich.:

A3B4C14D16 (1)

Weight, g/mol:

713.36493

ΔHf, kcal/mol:

-112.29

Dipole, Da:

2.95

IP(EA), eV:

 -8.65(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC2=CC=CC(=C2C(=O)N1[C@H]3CCC(=O)NC3O)N

DOS

IR

Vibrations