Geometry & MOs

Info

ID:	313722
PubChem CID:	126617338
Reduced:	SO2N6C25H28 (1)
Stoich.:	AB2C6D25E28 (1)
Weight, g/mol:	544.182351
ΔH_f, kcal/mol:	28.16
Dipole, Da:	7.39
IP(EA), eV:	-8.79(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-chloro-4-fluorophenoxy)methyl]-8-[2-[5-(diethylamino)pentan-2-ylamino]-1,3-thiazol-4-yl]-1H-pyrido[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CN1CCCC1CCNC2=NC(=CS2)C3=NC=CC4=C3NC(=NC4=O)COCC5=CC=CC=C5

DOS

IR

Vibrations