Geometry & MOs

Info

ID:	408751
PubChem CID:	135081519
Reduced:	NPC19H22 (1)
Stoich.:	ABC19D22 (1)
Weight, g/mol:	471.98363
ΔH_f, kcal/mol:	61.07
Dipole, Da:	1.38
IP(EA), eV:	-8.41(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[prop-2-enyl-(2,2,2-trifluoroacetyl)oxythallanyl] 2,2,2-trifluoroacetate

Drug info:

PubChemData

Smile

CC(C)[C@H]1[C@@H](N1P(C2=CC=CC=C2)C3=CC=CC=C3)C=C

DOS

IR

Vibrations