Geometry & MOs

Info

ID:	356106
PubChem CID:	127291142
Reduced:	SN3O4C16H23 (1)
Stoich.:	AB3C4D16E23 (1)
Weight, g/mol:	381.172228
ΔH_f, kcal/mol:	-147.48
Dipole, Da:	8.32
IP(EA), eV:	-9.2(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,4-dimethylphenyl)sulfonyl-N-(oxan-3-yl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1CC(COC1)NC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations