Geometry & MOs

Info

ID:	381540
PubChem CID:	134972308
Reduced:	O4C9H14 (1)
Stoich.:	A4B9C14 (1)
Weight, g/mol:	855.197994
ΔH_f, kcal/mol:	-172.04
Dipole, Da:	4.96
IP(EA), eV:	-10.47(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,5S)-5-acetyloxy-6-methyl-2-(2,2,2-trichloroethanimidoyl)oxy-4-[(2S,5S)-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxyoxan-3-yl] benzoate

Drug info:

PubChemData

Smile

CCOC(=O)[C@@](C)(CC=C)C(=O)O

DOS

IR

Vibrations