Geometry & MOs

Info

ID:	5550
PubChem CID:	13315
Reduced:	BrClNSC19H23 (1)
Stoich.:	ABCDE19F23 (1)
Weight, g/mol:	411.04231
ΔH_f, kcal/mol:	-1.53
Dipole, Da:	6.06
IP(EA), eV:	-8.69(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-bromo-6,11-dihydrobenzo[c][1]benzothiepin-11-yl)propyl-dimethylazanium;chloride

Drug info:

PubChemData

Smile

C[NH+](C)CCCC1C2=CC=CC=C2CSC3=C1C=C(C=C3)Br.[Cl-]

DOS

IR

Vibrations