Geometry & MOs

Info

ID:	229494
PubChem CID:	87567848
Reduced:	ClNOSC9H14 (1)
Stoich.:	ABCDE9F14 (1)
Weight, g/mol:	533.186159
ΔH_f, kcal/mol:	-37.71
Dipole, Da:	3.85
IP(EA), eV:	-9.05(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)CC(C=O)C1=CC=CS1.Cl

DOS

IR

Vibrations