Geometry & MOs

Info

ID:

170469

PubChem CID:

75237452

Reduced:

NO3H17C19 (1)

Stoich.:

AB3C17D19 (1)

Weight, g/mol:

814.359117

ΔHf, kcal/mol:

-44.71

Dipole, Da:

3.68

IP(EA), eV:

 -9.92(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[2-[2-[6-[4-[2-[1-(2-acetamido-2-phenylacetyl)pyrrolidin-2-yl]-3H-benzimidazol-5-yl]phenyl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate

Drug info:

PubChemData

Smile

CCOC(=O)C(=CC1=CC(=CC=C1)C#N)C(C2=CC=CC=C2)O

DOS

IR

Vibrations