Geometry & MOs

Info

ID:	231418
PubChem CID:	87573654
Reduced:	SO2N6C22H22 (1)
Stoich.:	AB2C6D22E22 (1)
Weight, g/mol:	408.021452
ΔH_f, kcal/mol:	52.66
Dipole, Da:	3.86
IP(EA), eV:	-8.5(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-chloropyridin-4-yl)-1-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-hydroxy-3,8-dihydro-1H-pyrido[1,2-c]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1COCC(N1CCC=O)N2C=C(C=N2)C3=CC(=C(N=C3)N)C4=NC5=CC=CC=C5S4

DOS

IR

Vibrations