Geometry & MOs

Info

ID:

401923

PubChem CID:

135053390

Reduced:

FN2O6H17C18 (1)

Stoich.:

AB2C6D17E18 (1)

Weight, g/mol:

426.103871

ΔHf, kcal/mol:

-263.79

Dipole, Da:

6.46

IP(EA), eV:

 -9.57(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(10R,11R,15R)-13,13-dimethyl-6-[4-(trifluoromethyl)phenyl]-8,12,14,16-tetraoxa-2,4-diazatetracyclo[8.5.1.02,7.011,15]hexadec-6-ene-3,5-dione

Drug info:

PubChemData

Smile

CC1(O[C@@H]2[C@H]3COC4=C(C(=O)NC(=O)N4C([C@@H]2O1)O3)C5=CC=C(C=C5)F)C

DOS

IR

Vibrations