Geometry & MOs

Info

ID:	71632
PubChem CID:	48415138
Reduced:	SN2O4C20H22 (1)
Stoich.:	AB2C4D20E22 (1)
Weight, g/mol:	407.187878
ΔH_f, kcal/mol:	-45.28
Dipole, Da:	8.43
IP(EA), eV:	-8.9(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-but-3-ynylpiperazine-1-carbonyl)-N,N-diethyl-2-methoxybenzenesulfonamide

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)C2=CC=C(O2)CS(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations