Geometry & MOs

Info

ID:	374399
PubChem CID:	131328342
Reduced:	ClSO3H9C11 (1)
Stoich.:	ABC3D9E11 (1)
Weight, g/mol:	296.983812
ΔH_f, kcal/mol:	-90.1
Dipole, Da:	7.57
IP(EA), eV:	-8.86(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyano-5-ethyl-2-(trifluoromethyl)benzenesulfonyl chloride

Drug info:

PubChemData

Smile

CCOC1=C2C=CSC2=C(C(=C1)C(=O)O)Cl

DOS

IR

Vibrations