Geometry & MOs

Info

ID:	313752
PubChem CID:	126617420
Reduced:	OSN6C21H22 (1)
Stoich.:	ABC6D21E22 (1)
Weight, g/mol:	431.086367
ΔH_f, kcal/mol:	70.36
Dipole, Da:	8.84
IP(EA), eV:	-8.74(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)CCNC1=NC(=CS1)C2=NC=CC3=C2NC(=NC3=O)CC4=CC=CC=C4

DOS

IR

Vibrations