Geometry & MOs

Info

ID:	44121
PubChem CID:	10500859
Reduced:	SN2O2C23H26 (1)
Stoich.:	AB2C2D23E26 (1)
Weight, g/mol:	394.066653
ΔH_f, kcal/mol:	-30.9
Dipole, Da:	4.88
IP(EA), eV:	-8.38(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-4-fluorophenyl)-7-(2-methoxyethoxy)-6-methylsulfanylpyrido[3,2-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

C[C@H]1C[C@@H]2[C@@H](CC3=CN(C4=CC=CC2=C34)S(=O)(=O)C5=CC=C(C=C5)C)N(C1)C

DOS

IR

Vibrations