Geometry & MOs

Info

ID:	245253
PubChem CID:	99438048
Reduced:	O2N3C21H27 (1)
Stoich.:	A2B3C21D27 (1)
Weight, g/mol:	430.167477
ΔH_f, kcal/mol:	-28.83
Dipole, Da:	1.53
IP(EA), eV:	-8.77(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[methyl(methylsulfonyl)amino]benzoyl]-N-(3-methylphenyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)N2CCN(CC2)C(=O)C=C(C3CC3)C4CC4

DOS

IR

Vibrations