Geometry & MOs

Info

ID:	366132
PubChem CID:	127319512
Reduced:	FN2S2O3C15H15 (1)
Stoich.:	AB2C2D3E15F15 (1)
Weight, g/mol:	379.192963
ΔH_f, kcal/mol:	-121.62
Dipole, Da:	9.2
IP(EA), eV:	-9.9(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,1-dioxothian-3-yl)-4-(4-propan-2-ylpiperazin-1-yl)benzamide

Drug info:

PubChemData

Smile

C1CC(CS(=O)(=O)C1)NC(=O)C2=CSC(=N2)C3=CC=CC=C3F

DOS

IR

Vibrations