Geometry & MOs

Info

ID:	313746
PubChem CID:	126617394
Reduced:	SO2N5C13H13 (1)
Stoich.:	AB2C5D13E13 (1)
Weight, g/mol:	575.015257
ΔH_f, kcal/mol:	1.51
Dipole, Da:	7.06
IP(EA), eV:	-8.93(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-chloro-4-fluorophenoxy)methyl]-8-[2-[2-(3,4-dichlorophenyl)ethylamino]-1,3-thiazol-4-yl]-1H-pyrido[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C[C@@H](CNC1=NC(=CS1)C2=NC=CC3=C2NC=NC3=O)O

DOS

IR

Vibrations