Geometry & MOs

Info

ID:	249211
PubChem CID:	103087754
Reduced:	NOSF3C13H24 (1)
Stoich.:	ABCD3E13F24 (1)
Weight, g/mol:	338.953512
ΔH_f, kcal/mol:	-232.29
Dipole, Da:	3.62
IP(EA), eV:	-8.6(0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2,4-dichloro-3-fluorophenyl)sulfonyl-prop-2-ynylamino]acetic acid

Drug info:

PubChemData

Smile

CSCCCCNC1CCCC(C1)OCC(F)(F)F

DOS

IR

Vibrations