Geometry & MOs

Info

ID:	372883
PubChem CID:	131306551
Reduced:	SO3C12H16 (1)
Stoich.:	AB3C12D16 (1)
Weight, g/mol:	315.913063
ΔH_f, kcal/mol:	-120.31
Dipole, Da:	3.62
IP(EA), eV:	-8.97(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3,5-dichloro-4-chlorosulfonylbenzoate

Drug info:

PubChemData

Smile

CC(C)C1=CC2=C(S1)C(CC2)(C(=O)OC)O

DOS

IR

Vibrations