Geometry & MOs

Info

ID:	387576
PubChem CID:	134985962
Reduced:	ClIH8C9 (1)
Stoich.:	ABC8D9 (1)
Weight, g/mol:	246.028541
ΔH_f, kcal/mol:	52.27
Dipole, Da:	1.83
IP(EA), eV:	-9.51(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-phenyl-8aH-[1,3,4]thiadiazolo[3,2-a]pyridine-2-thione

Drug info:

PubChemData

Smile

C1[C@@H](C1(Cl)I)C2=CC=CC=C2

DOS

IR

Vibrations