Geometry & MOs

Info

ID:	71285
PubChem CID:	48414570
Reduced:	SN3O3C18H25 (1)
Stoich.:	AB3C3D18E25 (1)
Weight, g/mol:	405.172228
ΔH_f, kcal/mol:	-54.74
Dipole, Da:	6.37
IP(EA), eV:	-9.08(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-but-3-ynylpiperazine-1-carbonyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide

Drug info:

PubChemData

Smile

CC(C)NS(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCN(CC2)CCC#C

DOS

IR

Vibrations