Geometry & MOs

Info

ID:	71633
PubChem CID:	48415139
Reduced:	SN3O4C20H29 (1)
Stoich.:	AB3C4D20E29 (1)
Weight, g/mol:	391.192963
ΔH_f, kcal/mol:	-97.66
Dipole, Da:	8.74
IP(EA), eV:	-8.88(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-but-3-ynylpiperazine-1-carbonyl)-N,N-diethyl-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)C(=O)N2CCN(CC2)CCC#C)OC

DOS

IR

Vibrations