Geometry & MOs

Info

ID:	172214
PubChem CID:	75480850
Reduced:	NSO2C10H13 (1)
Stoich.:	ABC2D10E13 (1)
Weight, g/mol:	218.069142
ΔH_f, kcal/mol:	-66.78
Dipole, Da:	4.03
IP(EA), eV:	-9.25(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-acetyl-3-methylphenyl)oxadiazol-3-ium-5-olate

Drug info:

PubChemData

Smile

CN(C)C(=O)SC1=CC=C(C=C1)CO

DOS

IR

Vibrations