Geometry & MOs

Info

ID:	25908
PubChem CID:	633282
Reduced:	FON6C20H21 (1)
Stoich.:	ABC6D20E21 (1)
Weight, g/mol:	381.985549
ΔH_f, kcal/mol:	10.53
Dipole, Da:	3.87
IP(EA), eV:	-8.85(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,4-dinitrophenyl)sulfinyl-1,2-dinitrobenzene

Drug info:

PubChemData

Smile

C1COCCN1C2=NC(=NC(=N2)NC3=CC=C(C=C3)F)NCC4=CC=CC=C4

DOS

IR

Vibrations