Geometry & MOs

Info

ID:

110080

PubChem CID:

50308778

Reduced:

N3O3C19H24 (2)

Stoich.:

A3B3C19D24 (2)

Weight, g/mol:

712.257624

ΔHf, kcal/mol:

-217.92

Dipole, Da:

3.8

IP(EA), eV:

 -8.25(-0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-chloro-3-[(4-methylbenzoyl)amino]anilino]-2-oxoethyl]-1-[2-[4-[(2-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC=C(C=C3)NC(=O)C4=CC(=CC=C4)OC)C(=O)N(C)C

DOS

IR

Vibrations