Geometry & MOs

Info

ID:	278454
PubChem CID:	103835881
Reduced:	N2S2O4C13H14 (1)
Stoich.:	A2B2C4D13E14 (1)
Weight, g/mol:	295.087829
ΔH_f, kcal/mol:	-96.56
Dipole, Da:	5.7
IP(EA), eV:	-9.38(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(hex-5-yn-3-ylsulfamoyl)benzoate

Drug info:

PubChemData

Smile

COC(=O)C1=CC=CC=C1S(=O)(=O)NCCC2=CSC=N2

DOS

IR

Vibrations