Geometry & MOs

Info

ID:	338743
PubChem CID:	127259754
Reduced:	Cl2N2O2H14C19 (1)
Stoich.:	A2B2C2D14E19 (1)
Weight, g/mol:	282.09258
ΔH_f, kcal/mol:	-10.01
Dipole, Da:	2.27
IP(EA), eV:	-8.68(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-ethoxy-2-oxoethyl)sulfanylethyl 2-phenylacetate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(=O)OC2=C(N=CC=C2)NC3=C(C=CC=C3Cl)Cl

DOS

IR

Vibrations