Geometry & MOs

Info

ID:	132315
PubChem CID:	51341847
Reduced:	N3O3C15H20 (1)
Stoich.:	A3B3C15D20 (1)
Weight, g/mol:	281.126323
ΔH_f, kcal/mol:	-59.39
Dipole, Da:	5.56
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.929119
Charge, e:	0

Chem-info

IUPAC name:

(2R,5S)-2-(2,3-dihydroindol-1-yl)-6-(hydroxymethyl)oxane-3,4,5-triol

Drug info:

PubChemData

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CC[C@H](C)[C@@H](/C(=C/[N+]#N)/O)NC(=O)OCC1=CC=CC=C1

DOS

IR

Vibrations