Geometry & MOs

Info

ID:	41943
PubChem CID:	8147879
Reduced:	SO3N4H14C19 (1)
Stoich.:	AB3C4D14E19 (1)
Weight, g/mol:	328.105922
ΔH_f, kcal/mol:	52.13
Dipole, Da:	6.67
IP(EA), eV:	-9.04(-1.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(E)-2-(4-methoxyphenyl)ethenyl]-5-nitropyridine-3-carboxylate

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C3=C(S2)N=C(NC3=O)/C(=C/C4=CC=C(C=C4)[N+](=O)[O-])/C#N

DOS

IR

Vibrations