Geometry & MOs

Info

ID:

83261

PubChem CID:

49857366

Reduced:

NSO7C8H17 (1)

Stoich.:

ABC7D8E17 (1)

Weight, g/mol:

738.327816

ΔHf, kcal/mol:

-324.2

Dipole, Da:

2.58

IP(EA), eV:

 -10.08(0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C(C(=O)OCC)N.CS(=O)(=O)O

DOS

IR

Vibrations