Geometry & MOs

Info

ID:	71241
PubChem CID:	48414507
Reduced:	ClON2C18H23 (1)
Stoich.:	ABC2D18E23 (1)
Weight, g/mol:	359.130363
ΔH_f, kcal/mol:	2.67
Dipole, Da:	4.04
IP(EA), eV:	-8.9(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)CCC(=O)N2CCN(CC2)CCC#C)Cl

DOS

IR

Vibrations