Geometry & MOs

Info

ID:	55411
PubChem CID:	17395352
Reduced:	FSO2N3H16C17 (1)
Stoich.:	ABC2D3E16F17 (1)
Weight, g/mol:	337.109627
ΔH_f, kcal/mol:	-39.38
Dipole, Da:	5.0
IP(EA), eV:	-9.33(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-methoxyphenyl)sulfonyl-N-prop-2-ynylpiperazine-1-carboxamide

Drug info:

PubChemData

Smile

CN1C=CN=C1C(C2=CC=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations