Geometry & MOs

Info

ID:	313701
PubChem CID:	126617303
Reduced:	OSN7C17H21 (1)
Stoich.:	ABC7D17E21 (1)
Weight, g/mol:	524.083366
ΔH_f, kcal/mol:	55.85
Dipole, Da:	9.28
IP(EA), eV:	-8.76(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-chloro-4-fluorophenoxy)methyl]-8-[2-[(2-hydroxy-2-pyridin-4-ylethyl)amino]-1,3-thiazol-4-yl]-1H-pyrido[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CN1CCN(CC1)CCNC2=NC(=CS2)C3=NC=CC4=C3NC=NC4=O

DOS

IR

Vibrations