Geometry & MOs

Info

ID:	187349
PubChem CID:	77562442
Reduced:	SF3N4O5C35H39 (1)
Stoich.:	AB3C4D5E35F39 (1)
Weight, g/mol:	297.103479
ΔH_f, kcal/mol:	-239.07
Dipole, Da:	6.08
IP(EA), eV:	-8.39(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,3-dihydroindol-1-yl)-6-(hydroxymethyl)thiane-3,4,5-triol

Drug info:

PubChemData

Smile

COC1=C2C=C3C4C(CC=CC4=C5C(=C5C(=O)NS(=O)(=O)CC(F)(F)F)CN3C2=C(C=C1)C6CCCCC6)C(=O)N7CC8CCC7CN8

DOS

IR

Vibrations