Geometry & MOs

Info

ID:	107747
PubChem CID:	50217282
Reduced:	O3N4C26H34 (1)
Stoich.:	A3B4C26D34 (1)
Weight, g/mol:	587.290783
ΔH_f, kcal/mol:	-121.4
Dipole, Da:	7.39
IP(EA), eV:	-8.85(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[4-[(4-fluorobenzoyl)amino]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=C(C=C3)C(=O)NC)C)C

DOS

IR

Vibrations