Geometry & MOs

Info

ID:

113303

PubChem CID:

50438919

Reduced:

FO3N4C32H37 (1)

Stoich.:

AB3C4D32E37 (1)

Weight, g/mol:

639.242389

ΔHf, kcal/mol:

-136.15

Dipole, Da:

8.62

IP(EA), eV:

 -8.78(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(3-chloro-4-fluoroanilino)-3-oxopropyl]-1-[1-[3-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)NC(=O)C2=C(C(=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C)C4=CC=CC=C4)C

DOS

IR

Vibrations