Geometry & MOs

Info

ID:

327328

PubChem CID:

126689547

Reduced:

ON3H13C14 (1)

Stoich.:

AB3C13D14 (1)

Weight, g/mol:

603.220813

ΔHf, kcal/mol:

29.1

Dipole, Da:

3.63

IP(EA), eV:

 -8.78(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,3R,4R)-10-tert-butyl-5,5-difluoro-8-[[6-fluoro-1,1-dimethyl-3-[2-(trifluoromethyl)phenyl]-2,3-dihydroinden-5-yl]methoxy]-9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-triene-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)C2=CN3C(=NNC3=O)C=C2

DOS

IR

Vibrations