Geometry & MOs

Info

ID:	245221
PubChem CID:	99437937
Reduced:	SO4N6C18H24 (1)
Stoich.:	AB4C6D18E24 (1)
Weight, g/mol:	396.179755
ΔH_f, kcal/mol:	-105.66
Dipole, Da:	8.99
IP(EA), eV:	-8.66(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)N2CCN(CC2)C(=O)CNS(=O)(=O)C3=CN(N=C3)C

DOS

IR

Vibrations