Geometry & MOs

Info

ID:

98400

PubChem CID:

50043617

Reduced:

FO5N6C40H41 (1)

Stoich.:

AB5C6D40E41 (1)

Weight, g/mol:

716.332233

ΔHf, kcal/mol:

-178.73

Dipole, Da:

10.46

IP(EA), eV:

 -8.38(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[(2-methoxybenzoyl)amino]phenyl]-1-[1-[2-[2-methyl-5-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=C(C=C5)NC(=O)C6=CC=C(C=C6)F

DOS

IR

Vibrations