Geometry & MOs

Info

ID:

103536

PubChem CID:

50071703

Reduced:

FO4N5C38H46 (1)

Stoich.:

AB4C5D38E46 (1)

Weight, g/mol:

615.322083

ΔHf, kcal/mol:

-198.81

Dipole, Da:

6.05

IP(EA), eV:

 -9.01(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-(butan-2-ylcarbamoyl)-2-methylphenyl]-1-[1-[5-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations