Geometry & MOs

Info

ID:	435089
PubChem CID:	135180272
Reduced:	SCl2O3N5H21C22 (1)
Stoich.:	AB2C3D5E21F22 (1)
Weight, g/mol:	491.058566
ΔH_f, kcal/mol:	0.87
Dipole, Da:	4.26
IP(EA), eV:	-8.55(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COCCN1C=C(C=N1)C2=C3C(=CC(=N2)C4=C(C(=CC(=C4Cl)OC)OC)Cl)C=NC(=N3)SC

DOS

IR

Vibrations