Geometry & MOs

Info

ID:	229216
PubChem CID:	87567202
Reduced:	SN3O3C35H37 (1)
Stoich.:	AB3C3D35E37 (1)
Weight, g/mol:	423.18821
ΔH_f, kcal/mol:	-5.72
Dipole, Da:	2.9
IP(EA), eV:	-8.65(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2,4-diamino-3-methyl-7-(2,3,5,6-tetramethylphenyl)-2,4-dihydropyrido[2,3-d]pyrimidin-1-yl] 2,2,2-trifluoroacetate

Drug info:

PubChemData

Smile

CCOC(=O)CCN1C=CC(=N1)/C=C\2/CN(CC[C@H]2SC(=O)C)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations