Geometry & MOs

Info

ID:	62190
PubChem CID:	26717912
Reduced:	ClSN2O4H19C23 (1)
Stoich.:	ABC2D4E19F23 (1)
Weight, g/mol:	373.098394
ΔH_f, kcal/mol:	-106.28
Dipole, Da:	3.82
IP(EA), eV:	-8.62(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[2-(4-acetamidophenyl)sulfanylacetyl]oxybenzoate

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)SCC(=O)OC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3Cl

DOS

IR

Vibrations