Geometry & MOs

Info

ID:	179917
PubChem CID:	76555136
Reduced:	ClNNaO8H19C21 (1)
Stoich.:	ABCD8E19F21 (1)
Weight, g/mol:	588.151073
ΔH_f, kcal/mol:	-327.66
Dipole, Da:	13.01
IP(EA), eV:	-8.86(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3,4,5-triacetyloxy-6-[4-(5-aminoindol-1-yl)-2-chlorophenoxy]oxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

C1=CC2=C(C=CN2C3=CC(=C(C=C3)OC4C(C(C(C(O4)CO)O)O)O)Cl)C=C1C(=O)[O-].[Na+]

DOS

IR

Vibrations