Geometry & MOs

Info

ID:

108927

PubChem CID:

50265129

Reduced:

FN3O3C20H24 (2)

Stoich.:

AB3C3D20E24 (2)

Weight, g/mol:

712.257624

ΔHf, kcal/mol:

-311.38

Dipole, Da:

4.63

IP(EA), eV:

 -8.95(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[3-[(4-chlorobenzoyl)amino]anilino]-2-oxoethyl]-1-[2-[4-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)N2CCOCC2)NC(=O)C(C(C)C)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=C(C=C4)C(=O)NC5=C(C=CC=C5F)F)C

DOS

IR

Vibrations