Geometry & MOs

Info

ID:	373598
PubChem CID:	131317682
Reduced:	NO2C7H15 (1)
Stoich.:	AB2C7D15 (1)
Weight, g/mol:	332.896654
ΔH_f, kcal/mol:	-84.64
Dipole, Da:	5.1
IP(EA), eV:	-9.12(1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyano-3-sulfanyl-5-(trifluoromethylsulfanyl)benzenesulfonyl chloride

Drug info:

PubChemData

Smile

CC(COC)C1(CNC1)O

DOS

IR

Vibrations