Geometry & MOs

Info

ID:	36240
PubChem CID:	7982299
Reduced:	ClSN3O3H18C19 (1)
Stoich.:	ABC3D3E18F19 (1)
Weight, g/mol:	352.021931
ΔH_f, kcal/mol:	-40.8
Dipole, Da:	5.06
IP(EA), eV:	-8.6(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[5-(5-chloro-2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-2-methyl-1,3-thiazole

Drug info:

PubChemData

Smile

CCOC(=O)[C@H](C1=CC=CC=C1)SC2=NNC(=N2)C3=C(C=CC(=C3)Cl)OC

DOS

IR

Vibrations