Geometry & MOs

Info

ID:	26681
PubChem CID:	794603
Reduced:	N2O3H14C15 (1)
Stoich.:	A2B3C14D15 (1)
Weight, g/mol:	298.062343
ΔH_f, kcal/mol:	-52.09
Dipole, Da:	3.51
IP(EA), eV:	-8.79(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-ethoxyphenyl)-4-nitro-1,1-dioxo-2,5-dihydrothiophen-3-amine

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C=NC2=CC=CC(=C2)C(=O)N)O

DOS

IR

Vibrations