Geometry & MOs

Info

ID:	378540
PubChem CID:	134224629
Reduced:	BrNH18C24 (1)
Stoich.:	ABC18D24 (1)
Weight, g/mol:	545.08128
ΔH_f, kcal/mol:	105.02
Dipole, Da:	2.25
IP(EA), eV:	-7.94(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-(15-bromo-11-methyl-12-thiatetracyclo[11.8.0.03,8.016,21]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaen-9-yl)-1,2-dihydrocarbazole

Drug info:

PubChemData

Smile

C1C=CC=C2C1C3=CC=CC=C3N2C4=CC=C(C=C4)C5=CC=C(C=C5)Br

DOS

IR

Vibrations