Geometry & MOs

Info

ID:	9922
PubChem CID:	94836
Reduced:	NSO2H5C7 (1)
Stoich.:	ABC2D5E7 (1)
Weight, g/mol:	167.0041
ΔH_f, kcal/mol:	-22.36
Dipole, Da:	5.13
IP(EA), eV:	-9.34(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,4-dihydroxyphenyl) thiocyanate

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1SC#N)O)O

DOS

IR

Vibrations