Geometry & MOs

Info

ID:	280556
PubChem CID:	103849892
Reduced:	FS2N3O4H8C10 (1)
Stoich.:	AB2C3D4E8F10 (1)
Weight, g/mol:	249.057198
ΔH_f, kcal/mol:	-116.81
Dipole, Da:	7.4
IP(EA), eV:	-9.28(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyano-N-(1-cyanoethyl)-2-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

COC(=O)C1=C(C=C(C=C1)F)S(=O)(=O)NC2=NN=CS2

DOS

IR

Vibrations