Geometry & MOs

Info

ID:	9582
PubChem CID:	91222
Reduced:	S2N3C12H15 (1)
Stoich.:	A2B3C12D15 (1)
Weight, g/mol:	265.07074
ΔH_f, kcal/mol:	69.25
Dipole, Da:	3.27
IP(EA), eV:	-9.33(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dimethyl-5-phenyl-1,3-thiazolidin-2-imine;thiocyanic acid

Drug info:

PubChemData

Smile

CC1C(SC(=N)N1C)C2=CC=CC=C2.C(#N)S

DOS

IR

Vibrations