Geometry & MOs

Info

ID:

114715

PubChem CID:

50493962

Reduced:

FO4N5C35H40 (1)

Stoich.:

AB4C5D35E40 (1)

Weight, g/mol:

615.322083

ΔHf, kcal/mol:

-174.3

Dipole, Da:

7.74

IP(EA), eV:

 -8.99(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC3=CC=CC(=C3C)C(=O)N4CCCC4)C(=O)NC5=CC(=CC=C5)F

DOS

IR

Vibrations