Geometry & MOs

Info

ID:	19857
PubChem CID:	574158
Reduced:	NSO5H9C13 (1)
Stoich.:	ABC5D9E13 (1)
Weight, g/mol:	291.020144
ΔH_f, kcal/mol:	-59.18
Dipole, Da:	5.59
IP(EA), eV:	-9.56(-1.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-nitrophenyl)-2-oxoethyl] thiophene-2-carboxylate

Drug info:

PubChemData

Smile

C1=CSC(=C1)C(=O)OCC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations