Geometry & MOs

Info

ID:	227073
PubChem CID:	87560054
Reduced:	NO2S2C12H19 (1)
Stoich.:	AB2C2D12E19 (1)
Weight, g/mol:	601.01978
ΔH_f, kcal/mol:	-73.28
Dipole, Da:	3.62
IP(EA), eV:	-8.74(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R,4S,5R,6R)-2-[(2S,3R,4R,5S,6S)-6-bromo-5-chloro-3,4,5-trihydroxy-4-(3-hydroxyindol-1-yl)-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,4,5-tetrol

Drug info:

PubChemData

Smile

CSCCC(C(=O)O)N.C1=CC=C(C=C1)CS

DOS

IR

Vibrations