Geometry & MOs

Info

ID:	373656
PubChem CID:	131318323
Reduced:	IO3C10H11 (1)
Stoich.:	AB3C10D11 (1)
Weight, g/mol:	261.94512
ΔH_f, kcal/mol:	-94.34
Dipole, Da:	4.47
IP(EA), eV:	-9.41(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyano-6-hydroxy-4-nitrobenzenesulfonyl chloride

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1OC)I)CC(=O)O

DOS

IR

Vibrations