Geometry & MOs

Info

ID:	8588
PubChem CID:	79295
Reduced:	SH2N2C4O4 (1)
Stoich.:	AB2C2D4E4 (1)
Weight, g/mol:	173.973528
ΔH_f, kcal/mol:	23.46
Dipole, Da:	3.73
IP(EA), eV:	-10.81(-2.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dinitrothiophene

Drug info:

PubChemData

Smile

C1=C(SC=C1[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations