Geometry & MOs

Info

ID:	435088
PubChem CID:	135180142
Reduced:	SCl2N3O3H15C18 (1)
Stoich.:	AB2C3D3E15F18 (1)
Weight, g/mol:	505.074216
ΔH_f, kcal/mol:	-34.06
Dipole, Da:	5.98
IP(EA), eV:	-8.89(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-[1-(2-methoxyethyl)pyrazol-4-yl]-2-methylsulfanylpyrido[3,4-d]pyrimidine

Drug info:

PubChemData

Smile

COC1=CC(=C(C(=C1Cl)C2=CC3=CN=C(N=C3S2)CNC(=O)C=C)Cl)OC

DOS

IR

Vibrations