Geometry & MOs

Info

ID:	392466
PubChem CID:	135016842
Reduced:	ON2C28H30 (1)
Stoich.:	AB2C28D30 (1)
Weight, g/mol:	419.990977
ΔH_f, kcal/mol:	51.33
Dipole, Da:	3.61
IP(EA), eV:	-9.24(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2,2-trichloroethyl (E,4R,5R)-6,6,6-trifluoro-5-hydroxy-4-phenylmethoxyhex-2-enoate

Drug info:

PubChemData

Smile

CC1(C2CCC1(C(=NCC3=CC=CC=N3)C2)C(C4=CC=CC=C4)(C5=CC=CC=C5)O)C

DOS

IR

Vibrations