Geometry & MOs

Info

ID:

82593

PubChem CID:

49856222

Reduced:

O6C45H86 (1)

Stoich.:

A6B45C86 (1)

Weight, g/mol:

726.327816

ΔHf, kcal/mol:

-451.18

Dipole, Da:

4.36

IP(EA), eV:

 -10.62(0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)O[13C](=O)CCCCCCCCC

DOS

IR

Vibrations