Geometry & MOs

Info

ID:	313715
PubChem CID:	126617318
Reduced:	SO2N5C13H13 (1)
Stoich.:	AB2C5D13E13 (1)
Weight, g/mol:	303.078996
ΔH_f, kcal/mol:	3.82
Dipole, Da:	7.84
IP(EA), eV:	-8.86(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[2-(2-hydroxypropylamino)-1,3-thiazol-4-yl]-1H-pyrido[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C[C@H](CNC1=NC(=CS1)C2=NC=CC3=C2NC=NC3=O)O

DOS

IR

Vibrations