Geometry & MOs

Info

ID:	268208
PubChem CID:	103598379
Reduced:	N2O4H12C15 (1)
Stoich.:	A2B4C12D15 (1)
Weight, g/mol:	266.097666
ΔH_f, kcal/mol:	-16.59
Dipole, Da:	5.17
IP(EA), eV:	-10.56(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethylsulfanylethyl 3-(3-methoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1COC(=O)C=CC2=CC=NC=C2)[N+](=O)[O-]

DOS

IR

Vibrations