Geometry & MOs

Info

ID:	297790
PubChem CID:	117630993
Reduced:	ClO2F3N6C21H24 (1)
Stoich.:	AB2C3D6E21F24 (1)
Weight, g/mol:	543.9654
ΔH_f, kcal/mol:	-122.27
Dipole, Da:	9.63
IP(EA), eV:	-9.02(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-[2-(6-bromo-8-fluoro-4-methylidene-2,3,9,9a-tetrahydro-1H-carbazol-4a-yl)ethyl]benzenesulfonamide

Drug info:

PubChemData

Smile

C[C@H]1[C@@H](CCCN1)OC2=C(C=C(C=N2)C(F)(F)F)Cl.CN1CC=CC(=C1N2N=CC=N2)C=O

DOS

IR

Vibrations