Geometry & MOs

Info

ID:	297783
PubChem CID:	117630695
Reduced:	ClOF4N5H20C24 (1)
Stoich.:	ABC4D5E20F24 (1)
Weight, g/mol:	471.06161
ΔH_f, kcal/mol:	-141.71
Dipole, Da:	9.34
IP(EA), eV:	-8.86(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C[C@H]2[C@@H](C[C@@H]1CN2C3=C(C=CC(=C3C=O)C4=NC=CC=N4)F)NC5=C(C=C(C=N5)C(F)(F)F)Cl

DOS

IR

Vibrations