Geometry & MOs

Info

ID:

109031

PubChem CID:

50269359

Reduced:

O3N4C32H38 (1)

Stoich.:

A3B4C32D38 (1)

Weight, g/mol:

635.290783

ΔHf, kcal/mol:

-92.08

Dipole, Da:

10.91

IP(EA), eV:

 -8.52(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[(3-fluorophenyl)carbamoyl]phenyl]-1-[1-[2-methyl-4-[(2-methylphenyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C)C4=CC=CC=C4)C

DOS

IR

Vibrations