Geometry & MOs

Info

ID:	373437
PubChem CID:	131315292
Reduced:	NO3C11H11 (1)
Stoich.:	AB3C11D11 (1)
Weight, g/mol:	316.929189
ΔH_f, kcal/mol:	-85.91
Dipole, Da:	6.14
IP(EA), eV:	-10.33(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(chloromethyl)-2-cyano-4-(trifluoromethyl)benzenesulfonyl chloride

Drug info:

PubChemData

Smile

CCC1=C(C(=C(C=C1)CO)C#N)C(=O)O

DOS

IR

Vibrations