Geometry & MOs

Info

ID:	71450
PubChem CID:	48414899
Reduced:	O2N3C20H21 (1)
Stoich.:	A2B3C20D21 (1)
Weight, g/mol:	374.141262
ΔH_f, kcal/mol:	37.53
Dipole, Da:	3.24
IP(EA), eV:	-8.81(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)C2=C(N=CC=C2)OC3=CC=CC=C3

DOS

IR

Vibrations