Geometry & MOs

Info

ID:

228507

PubChem CID:

87565034

Reduced:

SN3O4F6H14C19 (1)

Stoich.:

AB3C4D6E14F19 (1)

Weight, g/mol:

603.107009

ΔHf, kcal/mol:

-379.97

Dipole, Da:

7.27

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.768984

Charge, e:

 0

Chem-info

IUPAC name:

3-(2,4-dichlorophenyl)-1-[[3-(dicyclopropylamino)cyclobutyl]methyl]-3-hydroxy-2-oxo-4-(trifluoromethyl)indole-6-carboxamide;hydrochloride

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N(C(=O)[N+]1(CC2=CC=NC=C2)OC(=O)C(F)(F)F)C3=CC=C(C=C3)SC(F)(F)F

DOS

IR

Vibrations