Geometry & MOs

Info

ID:	26717
PubChem CID:	794742
Reduced:	O2N4C19H20 (1)
Stoich.:	A2B4C19D20 (1)
Weight, g/mol:	268.051778
ΔH_f, kcal/mol:	8.89
Dipole, Da:	7.19
IP(EA), eV:	-8.29(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=NN1)C(=O)NN=CC2=C(C=CC3=CC=CC=C32)O

DOS

IR

Vibrations