Geometry & MOs

Info

ID:	390454
PubChem CID:	134999243
Reduced:	OSCl2N2H14C16 (1)
Stoich.:	ABC2D2E14F16 (1)
Weight, g/mol:	402.123401
ΔH_f, kcal/mol:	15.86
Dipole, Da:	3.82
IP(EA), eV:	-9.09(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-[3-(2-chlorophenyl)-3-oxo-1-phenylpropyl]propanedioate

Drug info:

PubChemData

Smile

CN(C)C(=O)SN=C(C1=CC=C(C=C1)Cl)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations