Geometry & MOs

Info

ID:	371979
PubChem CID:	131283737
Reduced:	BrNOSH6C11 (1)
Stoich.:	ABCDE6F11 (1)
Weight, g/mol:	263.952704
ΔH_f, kcal/mol:	42.89
Dipole, Da:	3.88
IP(EA), eV:	-9.41(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(aminomethyl)-6-chloro-3-cyanobenzenesulfonyl chloride

Drug info:

PubChemData

Smile

C1=C(C=C(C2=C1C=C(S2)C#N)CBr)C=O

DOS

IR

Vibrations