Geometry & MOs

Info

ID:	313716
PubChem CID:	126617319
Reduced:	SO2N5C13H13 (1)
Stoich.:	AB2C5D13E13 (1)
Weight, g/mol:	333.053175
ΔH_f, kcal/mol:	3.3
Dipole, Da:	6.67
IP(EA), eV:	-9.06(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[2-(2-hydroxyethylamino)-1,3-thiazol-4-yl]-4-oxo-1H-pyrido[3,4-d]pyrimidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(CNC1=NC(=CS1)C2=NC=CC3=C2NC=NC3=O)O

DOS

IR

Vibrations