Geometry & MOs

Info

ID:	297086
PubChem CID:	117608304
Reduced:	NPO6C13H17 (1)
Stoich.:	ABC6D13E17 (1)
Weight, g/mol:	366.078662
ΔH_f, kcal/mol:	-259.9
Dipole, Da:	5.7
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.797216
Charge, e:	0

Chem-info

IUPAC name:

7-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]-4-methylpyrano[3,2-d]pyrimidin-6-one

Drug info:

PubChemData

Smile

CCOC(=O)C(CCC(=O)N)O[P+](=O)OC1=CC=CC=C1

DOS

IR

Vibrations