Geometry & MOs

Info

ID:

82910

PubChem CID:

49856783

Reduced:

N2O7C72H140 (1)

Stoich.:

A2B7C72D140 (1)

Weight, g/mol:

744.317252

ΔHf, kcal/mol:

-577.58

Dipole, Da:

12.63

IP(EA), eV:

 -9.65(0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-(N-[(2S)-2-[6-[4-[2-[(2S)-1-benzoylpyrrolidin-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](O)[C@@H](NC(=O)CCCCCCCCCCCCCCCCCOCCCCCCCCCCCCCCCCCC(=O)N[C@H]([C@H](O)/C=C/CCCCCCCCCCCCC)CO)CO

DOS

IR

Vibrations