Geometry & MOs

Info

ID:	372642
PubChem CID:	131301437
Reduced:	ClSN3O4H6C8 (1)
Stoich.:	ABC3D4E6F8 (1)
Weight, g/mol:	274.976755
ΔH_f, kcal/mol:	-21.63
Dipole, Da:	3.27
IP(EA), eV:	-10.46(-2.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(aminomethyl)-2-cyano-5-nitrobenzenesulfonyl chloride

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1C#N)S(=O)(=O)Cl)CN)[N+](=O)[O-]

DOS

IR

Vibrations