Geometry & MOs

Info

ID:	95310
PubChem CID:	50008049
Reduced:	ClO4N5C31H34 (1)
Stoich.:	AB4C5D31E34 (1)
Weight, g/mol:	561.214282
ΔH_f, kcal/mol:	-133.07
Dipole, Da:	10.89
IP(EA), eV:	-8.81(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(3-chlorobenzoyl)amino]phenyl]-1-[2-[2-methyl-5-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations