Geometry & MOs

Info

ID:

67373

PubChem CID:

46506366

Reduced:

Cl2O3N4H28C29 (1)

Stoich.:

A2B3C4D28E29 (1)

Weight, g/mol:

489.97291

ΔHf, kcal/mol:

-76.14

Dipole, Da:

5.19

IP(EA), eV:

 -8.96(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-bromo-10-[4-chloro-3-(trifluoromethyl)phenyl]-9,13-dimethyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-11-thione

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)C3=CC(=CC=C3)N4C(=O)NC5CC4(OC6=C5C=C(C=C6)Cl)C

DOS

IR

Vibrations