Geometry & MOs

Info

ID:	313704
PubChem CID:	126617306
Reduced:	ClFSO2N4H12C18 (1)
Stoich.:	ABCD2E4F12G18 (1)
Weight, g/mol:	423.136511
ΔH_f, kcal/mol:	-22.12
Dipole, Da:	5.14
IP(EA), eV:	-9.15(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC(=CS1)C2=NC=CC3=C2NC(=NC3=O)COC4=CC(=C(C=C4)F)Cl

DOS

IR

Vibrations