Geometry & MOs

Info

ID:

230331

PubChem CID:

87570667

Reduced:

NO2C3H6 (2)

Stoich.:

AB2C3D6 (2)

Weight, g/mol:

880.124735

ΔHf, kcal/mol:

-179.68

Dipole, Da:

9.8

IP(EA), eV:

 -9.84(-0.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]-N-(2-fluorophenyl)-N-methylpropanamide;2-[2-chloro-4-methylsulfonyl-3-(2,2,2-trifluoroethoxymethyl)benzoyl]cyclohexane-1,3-dione

Drug info:

PubChemData

Smile

CN(CCN(C)C(=O)O)C(=O)O

DOS

IR

Vibrations