Geometry & MOs

Info

ID:	70354
PubChem CID:	48413233
Reduced:	SN2O4C16H20 (1)
Stoich.:	AB2C4D16E20 (1)
Weight, g/mol:	335.130363
ΔH_f, kcal/mol:	-82.87
Dipole, Da:	2.74
IP(EA), eV:	-9.01(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(4-but-3-ynylpiperazin-1-yl)sulfonylphenyl]acetamide

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)CCC#C

DOS

IR

Vibrations