Geometry & MOs

Info

ID:	149551
PubChem CID:	53789224
Reduced:	ClSN2O2C13H15 (1)
Stoich.:	ABC2D2E13F15 (1)
Weight, g/mol:	288.136159
ΔH_f, kcal/mol:	-74.38
Dipole, Da:	5.04
IP(EA), eV:	-9.36(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-ethoxy-6-oxo-3-phenylcyclohex-3-ene-1-carboxylate

Drug info:

PubChemData

Smile

CC(C1=CC=CS1)C2=CNC(=O)N(C2=O)CCCCl

DOS

IR

Vibrations