Geometry & MOs

Info

ID:

103990

PubChem CID:

50086597

Reduced:

O5N6C42H46 (1)

Stoich.:

A5B6C42D46 (1)

Weight, g/mol:

732.343547

ΔHf, kcal/mol:

-149.2

Dipole, Da:

11.04

IP(EA), eV:

 -8.68(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[(4-fluorophenyl)carbamoyl]-2-methylphenyl]-1-[1-[2-[2-methyl-5-[(2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2C)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=CC(=C5C)C(=O)NC6=CC=CC=C6

DOS

IR

Vibrations