Geometry & MOs

Info

ID:	121645
PubChem CID:	50775861
Reduced:	SN3O3C25H35 (1)
Stoich.:	AB3C3D25E35 (1)
Weight, g/mol:	429.208613
ΔH_f, kcal/mol:	-113.05
Dipole, Da:	4.67
IP(EA), eV:	-8.99(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-N-(3-oxo-3-piperazin-1-ylpropyl)-N-(2-phenylpropyl)benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1C)S(=O)(=O)N(CCC(=O)N2CCNCC2)CC(C)C3=CC=CC=C3)C

DOS

IR

Vibrations