Geometry & MOs

Info

ID:	71238
PubChem CID:	48414503
Reduced:	O2N3C20H27 (1)
Stoich.:	A2B3C20D27 (1)
Weight, g/mol:	359.130363
ΔH_f, kcal/mol:	-30.55
Dipole, Da:	4.85
IP(EA), eV:	-8.86(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)NC1=CC=CC(=C1)C(=O)N2CCN(CC2)CCC#C

DOS

IR

Vibrations