Geometry & MOs

Info

ID:	371812
PubChem CID:	131272115
Reduced:	ClIO3H6C8 (1)
Stoich.:	ABC3D6E8 (1)
Weight, g/mol:	261.963748
ΔH_f, kcal/mol:	-90.49
Dipole, Da:	3.46
IP(EA), eV:	-9.36(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(=O)C1=C(C=CC(=C1Cl)O)I

DOS

IR

Vibrations