Geometry & MOs

Info

ID:

108463

PubChem CID:

50246908

Reduced:

FO4N5C39H48 (1)

Stoich.:

AB4C5D39E48 (1)

Weight, g/mol:

629.337733

ΔHf, kcal/mol:

-207.41

Dipole, Da:

7.24

IP(EA), eV:

 -8.82(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-(butan-2-ylcarbamoyl)-2-methylphenyl]-1-[1-[4-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)C)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=C(C=C4)C(=O)NC5=C(C=C(C=C5)F)C)C

DOS

IR

Vibrations