Geometry & MOs

Info

ID:	139565
PubChem CID:	52558392
Reduced:	SN3O5H15C20 (1)
Stoich.:	AB3C5D15E20 (1)
Weight, g/mol:	317.10204
ΔH_f, kcal/mol:	-95.92
Dipole, Da:	4.35
IP(EA), eV:	-8.92(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1-ethylbenzimidazol-2-yl)sulfanylmethyl]-2-propyl-1,3-thiazole

Drug info:

PubChemData

Smile

CC1=C(C(=NC(=N1)C2=CC=CO2)SC)C(=O)OCN3C(=O)C4=CC=CC=C4C3=O

DOS

IR

Vibrations