Geometry & MOs

Info

ID:	271899
PubChem CID:	103697951
Reduced:	FNO2S2C12H16 (1)
Stoich.:	ABC2D2E12F16 (1)
Weight, g/mol:	291.054084
ΔH_f, kcal/mol:	-113.59
Dipole, Da:	3.19
IP(EA), eV:	-8.73(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-pent-4-ynyl-2-(trifluoromethyl)benzenesulfonamide

Drug info:

PubChemData

Smile

CSC1CCC(C1)NS(=O)(=O)C2=CC=C(C=C2)F

DOS

IR

Vibrations