Geometry & MOs

Info

ID:	313719
PubChem CID:	126617326
Reduced:	SO2N5C15H15 (1)
Stoich.:	AB2C5D15E15 (1)
Weight, g/mol:	491.210344
ΔH_f, kcal/mol:	7.04
Dipole, Da:	8.42
IP(EA), eV:	-8.86(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(OC1)CNC2=NC(=CS2)C3=NC=CC4=C3NC=NC4=O

DOS

IR

Vibrations