Geometry & MOs

Info

ID:	242731
PubChem CID:	99205892
Reduced:	SO2N4C19H34 (1)
Stoich.:	AB2C4D19E34 (1)
Weight, g/mol:	382.240248
ΔH_f, kcal/mol:	-81.64
Dipole, Da:	4.94
IP(EA), eV:	-8.18(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-methylphenyl)-4-[(3S)-3-[[methyl(propan-2-yl)sulfamoyl]amino]butyl]piperazine

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N2CCN(CC2)CC[C@@H](C)NS(=O)(=O)N(C)C(C)C

DOS

IR

Vibrations