Geometry & MOs

Info

ID:	169390
PubChem CID:	75098476
Reduced:	ClSN3C15H16 (1)
Stoich.:	ABC3D15E16 (1)
Weight, g/mol:	247.077933
ΔH_f, kcal/mol:	85.2
Dipole, Da:	3.31
IP(EA), eV:	-8.87(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(6-methyl-3-sulfanylidene-1,2,4-triazinan-5-ylidene)ethylidene]cyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CSC2C(NNN2)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations