Geometry & MOs

Info

ID:

99429

PubChem CID:

50050742

Reduced:

F2O3N4C31H34 (1)

Stoich.:

A2B3C4D31E34 (1)

Weight, g/mol:

649.283111

ΔHf, kcal/mol:

-180.45

Dipole, Da:

14.93

IP(EA), eV:

 -8.49(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-3-(2-methylpropylcarbamoyl)phenyl]-1-[1-[5-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)C)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=C(C=C(C=C4)F)C

DOS

IR

Vibrations