Geometry & MOs

Info

ID:	107557
PubChem CID:	50208708
Reduced:	FO4N5C31H34 (1)
Stoich.:	AB4C5D31E34 (1)
Weight, g/mol:	499.198632
ΔH_f, kcal/mol:	-164.39
Dipole, Da:	5.2
IP(EA), eV:	-8.81(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-acetamido-4-chlorophenyl)-1-[2-[2-methyl-4-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)NC2=C(C=CC(=C2)NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=C(C=C4)C(=O)NC)C)F

DOS

IR

Vibrations