Geometry & MOs

Info

ID:	69
PubChem CID:	2053
Reduced:	SN2O2H8C10 (1)
Stoich.:	AB2C2D8E10 (1)
Weight, g/mol:	220.030649
ΔH_f, kcal/mol:	7.84
Dipole, Da:	5.5
IP(EA), eV:	-9.23(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enimidothioic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C=C(C#N)C(=N)S)O)O

DOS

IR

Vibrations