Geometry & MOs

Info

ID:	71283
PubChem CID:	48414568
Reduced:	SN3O3C18H23 (1)
Stoich.:	AB3C3D18E23 (1)
Weight, g/mol:	361.146013
ΔH_f, kcal/mol:	-22.37
Dipole, Da:	2.88
IP(EA), eV:	-9.06(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations