Geometry & MOs

Info

ID:

336579

PubChem CID:

127255586

Reduced:

F2N2O6H44C45 (1)

Stoich.:

A2B2C6D44E45 (1)

Weight, g/mol:

937.279314

ΔHf, kcal/mol:

-247.3

Dipole, Da:

3.31

IP(EA), eV:

 -8.49(-0.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,3R)-2,3-dibenzoyloxybutanedioic acid;3-(dimethylamino)-1-(3-methoxyphenyl)-2-methylpropan-1-one

Drug info:

PubChemData

Smile

CC1(COC(OC1)(CC[C@H]([C@@H](C2=CC=C(C=C2)OCC3=CC=CC=C3)NC4=CC=C(C=C4)F)C(=O)N5[C@H](COC5=O)C6=CC=CC=C6)C7=CC=C(C=C7)F)C

DOS

IR

Vibrations