Geometry & MOs

Info

ID:	367821
PubChem CID:	127325926
Reduced:	SO2N3C21H29 (1)
Stoich.:	AB2C3D21E29 (1)
Weight, g/mol:	393.208613
ΔH_f, kcal/mol:	-65.88
Dipole, Da:	5.16
IP(EA), eV:	-8.62(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[4-(4-methylcyclohexyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC1CCC(CC1)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)SCCC(=O)N4

DOS

IR

Vibrations