Geometry & MOs

Info

ID:	396857
PubChem CID:	135029351
Reduced:	SN2O2H14C17 (1)
Stoich.:	AB2C2D14E17 (1)
Weight, g/mol:	292.067034
ΔH_f, kcal/mol:	25.28
Dipole, Da:	3.08
IP(EA), eV:	-9.44(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-oxo-1,4-diphenylbut-3-yn-2-ylidene)thiourea

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C(=C/C(=O)C(=O)C2=CC=CC=C2)/SC(=N)N

DOS

IR

Vibrations