Geometry & MOs

Info

ID:	15394
PubChem CID:	440255
Reduced:	NO7C16H19 (1)
Stoich.:	AB7C16D19 (1)
Weight, g/mol:	337.116152
ΔH_f, kcal/mol:	-280.29
Dipole, Da:	5.32
IP(EA), eV:	-8.84(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 2-(1H-indol-3-yl)acetate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CN2)CC(=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O

DOS

IR

Vibrations