Geometry & MOs

Info

ID:	85433
PubChem CID:	49875065
Reduced:	ClNSH2O3C5 (1)
Stoich.:	ABCD2E3F5 (1)
Weight, g/mol:	219.970941
ΔH_f, kcal/mol:	-3.48
Dipole, Da:	5.16
IP(EA), eV:	-10.42(-2.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(NZ)-N-[1-(2-chloro-5-nitrothiophen-3-yl)ethylidene]hydroxylamine

Drug info:

PubChemData

Smile

C1=C(SC(=C1C=O)Cl)[N+](=O)[O-]

DOS

IR

Vibrations