Geometry & MOs

Info

ID:	28557
PubChem CID:	828358
Reduced:	ON2H7C10 (2)
Stoich.:	AB2C7D10 (2)
Weight, g/mol:	341.035794
ΔH_f, kcal/mol:	123.69
Dipole, Da:	8.92
IP(EA), eV:	-8.97(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-acetyl-1-benzothiophen-3-yl) 2-nitrobenzoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C=NC3=C2C=CC(=C3)N=CC4=CC=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations