Geometry & MOs

Info

ID:	73832
PubChem CID:	48420644
Reduced:	N2O3H20C23 (1)
Stoich.:	A2B3C20D23 (1)
Weight, g/mol:	354.067428
ΔH_f, kcal/mol:	-27.36
Dipole, Da:	4.32
IP(EA), eV:	-9.85(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[phenyl(pyridin-4-yl)methyl] 5-methyl-4-nitrothiophene-2-carboxylate

Drug info:

PubChemData

Smile

CNC(=O)C1=CC=C(C=C1)/C=C/C(=O)OC(C2=CC=CC=C2)C3=CC=NC=C3

DOS

IR

Vibrations