Geometry & MOs

Info

ID:	83687
PubChem CID:	49860101
Reduced:	SBr2N4C15H22 (1)
Stoich.:	AB2C4D15E22 (1)
Weight, g/mol:	518.10525
ΔH_f, kcal/mol:	14.38
Dipole, Da:	5.51
IP(EA), eV:	-9.12(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S,5R)-2-(9-hydroxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)-5-methyloxolane-3,4-diol;acetate;hydrobromide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN=C(N)SCCCC2=CN=CN2.Br.Br

DOS

IR

Vibrations