Geometry & MOs

Info

ID:	32958
PubChem CID:	7849679
Reduced:	SO5C18H20 (1)
Stoich.:	AB5C18D20 (1)
Weight, g/mol:	371.998986
ΔH_f, kcal/mol:	-180.54
Dipole, Da:	5.02
IP(EA), eV:	-8.45(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,4-dichlorophenyl)methyl 2-methyl-5-methylsulfonylbenzoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OCCC2=CC=C(C=C2)OC

DOS

IR

Vibrations