Geometry & MOs

Info

ID:

190638

PubChem CID:

78036061

Reduced:

O6N8C45H46 (1)

Stoich.:

A6B8C45D46 (1)

Weight, g/mol:

559.25834

ΔHf, kcal/mol:

-96.62

Dipole, Da:

11.18

IP(EA), eV:

 -9.0(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-acetyl-N-[4-[2-[2-[1-(2-phenylacetyl)pyrrolidin-2-yl]-3H-benzimidazol-5-yl]ethynyl]phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N(C2=CN=C(O2)C3=CC4=C(C=C3)N=C(N4)C5CCCN5C(=O)C(C6=CC=CC=C6)N(C)C)C(=O)C7CCCN7C(=O)C(C8=CC=CC=C8)NC(=O)O

DOS

IR

Vibrations