Geometry & MOs

Info

ID:	191328
PubChem CID:	78132318
Reduced:	OS2N4C19H20 (1)
Stoich.:	AB2C4D19E20 (1)
Weight, g/mol:	387.053376
ΔH_f, kcal/mol:	51.16
Dipole, Da:	3.45
IP(EA), eV:	-8.85(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-imino-5-[[2-(3-piperidin-1-ylphenyl)-1,3-thiazol-4-yl]methylidene]-1,3-dithiolan-4-one

Drug info:

PubChemData

Smile

C1CCN(CC1)CC2=CC=C(C=C2)C3=NC(=CS3)C=C4C(=O)N=C(S4)N

DOS

IR

Vibrations