Geometry & MOs

Info

ID:	435091
PubChem CID:	135180274
Reduced:	SCl2O3N5H21C23 (1)
Stoich.:	AB2C3D5E21F23 (1)
Weight, g/mol:	365.064569
ΔH_f, kcal/mol:	2.51
Dipole, Da:	5.08
IP(EA), eV:	-8.61(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2,6-difluoro-3,5-dimethoxyphenyl)-2-methylsulfanyl-7H-pyrido[3,4-d]pyrimidin-8-one

Drug info:

PubChemData

Smile

COC1=CC(=C(C(=C1Cl)C2=NC(=C3C(=C2)C=NC(=N3)SC)C4=CN(N=C4)C5CCOC5)Cl)OC

DOS

IR

Vibrations