Geometry & MOs

Info

ID:	302017
PubChem CID:	123110210
Reduced:	SO5C19H22 (1)
Stoich.:	AB5C19D22 (1)
Weight, g/mol:	373.134779
ΔH_f, kcal/mol:	-148.35
Dipole, Da:	2.38
IP(EA), eV:	-8.5(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[[2-(4-ethylanilino)-2-oxoethyl]sulfinylmethyl]benzoate

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1OCCS(=O)CC2=CC(=CC=C2)C(=O)OC

DOS

IR

Vibrations