Geometry & MOs

Info

ID:	71282
PubChem CID:	48414567
Reduced:	SN3O4C20H27 (1)
Stoich.:	AB3C4D20E27 (1)
Weight, g/mol:	361.146013
ΔH_f, kcal/mol:	-85.54
Dipole, Da:	1.97
IP(EA), eV:	-8.97(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-but-3-ynylpiperazine-1-carbonyl)-N-prop-2-enylbenzenesulfonamide

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)C2=CC(=CC=C2)S(=O)(=O)NCC3CCCO3

DOS

IR

Vibrations