Geometry & MOs

Info

ID:	228837
PubChem CID:	87565918
Reduced:	O10C11H20 (1)
Stoich.:	A10B11C20 (1)
Weight, g/mol:	503.035049
ΔH_f, kcal/mol:	-455.57
Dipole, Da:	3.59
IP(EA), eV:	-10.41(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(C(CC(=O)O)C(=O)O)C(=O)O.C(COCCO)O

DOS

IR

Vibrations