Geometry & MOs

Info

ID:	302022
PubChem CID:	123110660
Reduced:	SO5C17H24 (1)
Stoich.:	AB5C17D24 (1)
Weight, g/mol:	356.12936
ΔH_f, kcal/mol:	-214.05
Dipole, Da:	5.98
IP(EA), eV:	-8.87(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 3-[[2-(2-ethoxyethoxy)-2-oxoethyl]sulfinylmethyl]benzoate

Drug info:

PubChemData

Smile

CCCCOC(=O)CS(=O)CC1=CC(=CC=C1)C(=O)OC(C)C

DOS

IR

Vibrations