Geometry & MOs

Info

ID:	208945
PubChem CID:	80606634
Reduced:	ClS2N6C9H13 (1)
Stoich.:	AB2C6D9E13 (1)
Weight, g/mol:	298.941238
ΔH_f, kcal/mol:	93.93
Dipole, Da:	4.78
IP(EA), eV:	-8.98(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-chloro-1,3,4-thiadiazol-2-yl)methylsulfanyl]-1,3-benzothiazole

Drug info:

PubChemData

Smile

CC(C)N1C(=NN=C1SCC2=NN=C(S2)Cl)CN

DOS

IR

Vibrations