Geometry & MOs

Info

ID:	193520
PubChem CID:	78403894
Reduced:	O3N4C26H28 (1)
Stoich.:	A3B4C26D28 (1)
Weight, g/mol:	281.072179
ΔH_f, kcal/mol:	-59.33
Dipole, Da:	7.87
IP(EA), eV:	-9.07(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,7-dihydroxy-3-(2-methyl-1,3-thiazol-4-yl)-4a,5,6,7,8,8a-hexahydrochromen-4-one

Drug info:

PubChemData

Smile

C1CCC2=C(C3=CC=CC=C3N=C2CC1)C(=O)OCC(=O)C(=C4NC5CCCCC5N4)C#N

DOS

IR

Vibrations