Geometry & MOs

Info

ID:	231191
PubChem CID:	87572918
Reduced:	FO4N5C30H40 (1)
Stoich.:	AB4C5D30E40 (1)
Weight, g/mol:	265.067369
ΔH_f, kcal/mol:	-138.37
Dipole, Da:	1.81
IP(EA), eV:	-8.19(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-2-(3-pyridin-2-yl-1H-pyridin-2-ylidene)pyridine-3-thione

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CN2CCC(CC2)NC3=NC4=CC(=C(C=C4C(=N3)N5CCCCC5)OC)OC)OCCF

DOS

IR

Vibrations