Geometry & MOs

Info

ID:	100062
PubChem CID:	50057956
Reduced:	ClO3N4C28H29 (1)
Stoich.:	AB3C4D28E29 (1)
Weight, g/mol:	548.1423
ΔH_f, kcal/mol:	-78.67
Dipole, Da:	10.55
IP(EA), eV:	-8.6(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-bromophenyl)-1-[2-[2-methyl-5-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NC4=CC(=CC=C4)Cl

DOS

IR

Vibrations