Geometry & MOs

Info

ID:	31171
PubChem CID:	854953
Reduced:	SO3N5H11C12 (1)
Stoich.:	AB3C5D11E12 (1)
Weight, g/mol:	301.077265
ΔH_f, kcal/mol:	30.1
Dipole, Da:	5.05
IP(EA), eV:	-9.74(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-ethyl-4-hydroxy-2-methyl-3-(4-methyl-1,3-thiazol-2-yl)chromen-7-one

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)S(=O)(=O)NCC2=CC=CO2)N3C=NN=N3

DOS

IR

Vibrations