Geometry & MOs

Info

ID:	138453
PubChem CID:	52369065
Reduced:	NSO6H15C17 (1)
Stoich.:	ABC6D15E17 (1)
Weight, g/mol:	299.022076
ΔH_f, kcal/mol:	-166.71
Dipole, Da:	12.4
IP(EA), eV:	-8.59(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-(1,3-thiazol-2-yl)propanamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)S(=O)(=O)NC2=CC3=C(C=C2)OC(=O)C=C3

DOS

IR

Vibrations