Geometry & MOs

Info

ID:	272785
PubChem CID:	103756911
Reduced:	SN2O2C13H18 (1)
Stoich.:	AB2C2D13E18 (1)
Weight, g/mol:	330.044106
ΔH_f, kcal/mol:	-24.6
Dipole, Da:	4.25
IP(EA), eV:	-9.92(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-hex-5-ynyl-4-methyl-5-nitrobenzenesulfonamide

Drug info:

PubChemData

Smile

C#CCCCCNS(=O)(=O)CCC1=CC=CC=N1

DOS

IR

Vibrations