Geometry & MOs

Info

ID:	26702
PubChem CID:	794678
Reduced:	N2O3C17H18 (1)
Stoich.:	A2B3C17D18 (1)
Weight, g/mol:	330.067428
ΔH_f, kcal/mol:	-42.04
Dipole, Da:	5.1
IP(EA), eV:	-8.51(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1C=NNC(=O)C2=CC=C(C=C2)OC

DOS

IR

Vibrations