Geometry & MOs

Info

ID:

109892

PubChem CID:

50300883

Reduced:

N6O6C33H46 (1)

Stoich.:

A6B6C33D46 (1)

Weight, g/mol:

613.306433

ΔHf, kcal/mol:

-243.35

Dipole, Da:

3.92

IP(EA), eV:

 -8.18(-0.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[(3-fluorophenyl)carbamoyl]phenyl]-1-[2-[2-methyl-3-(3-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC(=C(C=C3)NC(=O)C(C)C)OC)C(=O)N(C)C

DOS

IR

Vibrations