Geometry & MOs

Info

ID:	53304
PubChem CID:	14710272
Reduced:	NSO4C8H8 (2)
Stoich.:	ABC4D8E8 (2)
Weight, g/mol:	358.097187
ΔH_f, kcal/mol:	-247.29
Dipole, Da:	4.46
IP(EA), eV:	-9.69(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[(4-chlorophenyl)methyl]-2-oxo-5-phenyloxolane-3-carboxylate

Drug info:

PubChemData

Smile

C1C(=O)N(C(S1(=O)=O)C2=CC=CO2)CCN3C(S(=O)(=O)CC3=O)C4=CC=CO4

DOS

IR

Vibrations