Geometry & MOs

Info

ID:

62861

PubChem CID:

26737320

Reduced:

NOC21H25 (1)

Stoich.:

ABC21D25 (1)

Weight, g/mol:

466.047809

ΔHf, kcal/mol:

-5.7

Dipole, Da:

3.35

IP(EA), eV:

 -9.03(0.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(11,13-dimethyl-6-oxo-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-5-yl)acetamide

Drug info:

PubChemData

Smile

CCC[C@H]1[C@@H](N([C@H](CC1=O)C2=CC=CC=C2)C)C3=CC=CC=C3

DOS

IR

Vibrations