Geometry & MOs

Info

ID:	313710
PubChem CID:	126617312
Reduced:	ClFSO2N4H10C17 (1)
Stoich.:	ABCD2E4F10G17 (1)
Weight, g/mol:	513.183461
ΔH_f, kcal/mol:	-11.19
Dipole, Da:	3.26
IP(EA), eV:	-9.35(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[2-(2-hydroxyethylamino)-1,3-thiazol-4-yl]-2-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]-1H-pyrido[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1OCC2=NC(=O)C3=C(N2)C(=NC=C3)C4=NC=CS4)Cl)F

DOS

IR

Vibrations