Geometry & MOs

Info

ID:	68690
PubChem CID:	46508904
Reduced:	ClOS2N4H17C19 (1)
Stoich.:	ABC2D4E17F19 (1)
Weight, g/mol:	424.091535
ΔH_f, kcal/mol:	75.37
Dipole, Da:	5.16
IP(EA), eV:	-8.85(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzoate

Drug info:

PubChemData

Smile

CCN1C(=NN=C1SCC2=C(OC(=N2)C3=CC=CS3)C)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations