Geometry & MOs

Info

ID:	229242
PubChem CID:	87567244
Reduced:	ClFSO2N3C23H29 (1)
Stoich.:	ABCD2E3F23G29 (1)
Weight, g/mol:	603.170509
ΔH_f, kcal/mol:	-60.58
Dipole, Da:	2.08
IP(EA), eV:	-8.6(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2,4-diamino-3-methyl-7-[2-(4-phenylphenoxy)-6-(trifluoromethyl)phenyl]-2,4-dihydropyrido[2,3-d]pyrimidin-1-yl] 2,2,2-trifluoroacetate

Drug info:

PubChemData

Smile

COCCN1C=CC(=N1)/C=C\2/CN(CCC2S)C(C3=CC=CC=C3F)C(=O)C4CC4.Cl

DOS

IR

Vibrations