Geometry & MOs

Info

ID:	70339
PubChem CID:	48413212
Reduced:	FSN2O2C15H19 (1)
Stoich.:	ABC2D2E15F19 (1)
Weight, g/mol:	353.104542
ΔH_f, kcal/mol:	-54.52
Dipole, Da:	5.17
IP(EA), eV:	-8.97(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-but-3-ynyl-4-(2-methoxy-4-nitrophenyl)sulfonylpiperazine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CCC#C)F

DOS

IR

Vibrations