Geometry & MOs

Info

ID:	406978
PubChem CID:	135079067
Reduced:	SN2O4H12C14 (1)
Stoich.:	AB2C4D12E14 (1)
Weight, g/mol:	279.110673
ΔH_f, kcal/mol:	-15.01
Dipole, Da:	6.63
IP(EA), eV:	-9.8(-1.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-(2-nitrophenyl)-5-oxohexanoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/C=N/S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations