Geometry & MOs

Info

ID:	85432
PubChem CID:	49875064
Reduced:	SCl2N2O3H4C11 (1)
Stoich.:	AB2C2D3E4F11 (1)
Weight, g/mol:	190.944392
ΔH_f, kcal/mol:	36.11
Dipole, Da:	3.76
IP(EA), eV:	-10.05(-2.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-5-nitrothiophene-3-carbaldehyde

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1OC2=C(C=C(S2)[N+](=O)[O-])C#N)Cl)Cl

DOS

IR

Vibrations