Geometry & MOs

Info

ID:	401821
PubChem CID:	135052776
Reduced:	ClNOS2H8C11 (1)
Stoich.:	ABCD2E8F11 (1)
Weight, g/mol:	222.030839
ΔH_f, kcal/mol:	44.47
Dipole, Da:	4.2
IP(EA), eV:	-9.42(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-3-phenyl-1,2-oxazole-4-diazonium;chloride

Drug info:

PubChemData

Smile

CSC(=S)C(C#N)C(=O)C1=CC=C(C=C1)Cl

DOS

IR

Vibrations