Geometry & MOs

Info

ID:

43551

PubChem CID:

10321459

Reduced:

ClSN2O4F6H7C14 (1)

Stoich.:

ABC2D4E6F7G14 (1)

Weight, g/mol:

446.98077

ΔHf, kcal/mol:

-354.27

Dipole, Da:

2.17

IP(EA), eV:

 -10.61(-2.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

11-(4-bromophenyl)-5-(2-chloroethyl)-4,13-dimethyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-6-one

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1S(=O)(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)[N+](=O)[O-])Cl

DOS

IR

Vibrations