Geometry & MOs

Info

ID:	228479
PubChem CID:	87564752
Reduced:	SN3F6O6H19C29 (1)
Stoich.:	AB3C6D6E19F29 (1)
Weight, g/mol:	172.034729
ΔH_f, kcal/mol:	-434.77
Dipole, Da:	9.3
IP(EA), eV:	-9.96(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3,3-trifluoro-2-hydroxy-2-(methoxymethyl)propanal

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CC=N2)CN3[C@@H](C(=O)N(C3=O)C4=CC=C(C=C4)S(=O)(=O)C(F)(F)F)CC5=CC=C(C=C5)OC(=O)C(F)(F)F

DOS

IR

Vibrations