Geometry & MOs

Info

ID:

380735

PubChem CID:

134971263

Reduced:

F3O7C22H27 (1)

Stoich.:

A3B7C22D27 (1)

Weight, g/mol:

460.170888

ΔHf, kcal/mol:

-433.96

Dipole, Da:

5.99

IP(EA), eV:

 -10.14(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (E,4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methyl-5-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]oxypent-2-enoate

Drug info:

PubChemData

Smile

C[C@H](/C=C/C(=O)OC)[C@@H]([C@H]1COC(O1)(C)C)OC(=O)[C@@](C2=CC=CC=C2)(C(F)(F)F)OC

DOS

IR

Vibrations