Geometry & MOs

Info

ID:	401268
PubChem CID:	135050747
Reduced:	KOS2N3C4H4 (1)
Stoich.:	ABC2D3E4F4 (1)
Weight, g/mol:	325.077265
ΔH_f, kcal/mol:	-61.92
Dipole, Da:	8.24
IP(EA), eV:	-7.76(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-(4-methylphenyl) 5-methoxy-2-phenyl-1,3-oxazole-4-carbothioate

Drug info:

PubChemData

Smile

C1(=C(N=C(S1)[S-])N)C(=O)N.[K+]

DOS

IR

Vibrations