Geometry & MOs

Info

ID:	70361
PubChem CID:	48413243
Reduced:	SN2O3C15H20 (1)
Stoich.:	AB2C3D15E20 (1)
Weight, g/mol:	365.140927
ΔH_f, kcal/mol:	-33.86
Dipole, Da:	6.76
IP(EA), eV:	-8.8(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC=C1S(=O)(=O)N2CCN(CC2)CCC#C

DOS

IR

Vibrations