Geometry & MOs

Info

ID:

82815

PubChem CID:

49856599

Reduced:

O6C45H82 (1)

Stoich.:

A6B45C82 (1)

Weight, g/mol:

776.304636

ΔHf, kcal/mol:

-404.65

Dipole, Da:

2.7

IP(EA), eV:

 -9.48(0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCCCC/C=C\CCCCCCCC(=O)OCC(O[13C](=O)CCCCC)COC(=O)CCCCCCC/C=C\CCCCCCCC

DOS

IR

Vibrations