Geometry & MOs

Info

ID:	407141
PubChem CID:	135079404
Reduced:	SN2O4H15C16 (1)
Stoich.:	AB2C4D15E16 (1)
Weight, g/mol:	346.178024
ΔH_f, kcal/mol:	0.83
Dipole, Da:	6.17
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.869133
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-2-prop-2-enylpropanedioate

Drug info:

PubChemData

Smile

CCOC(=O)/N=C(/[C]1[CH][CH][CH][CH]1)\SCC2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations