Geometry & MOs

Info

ID:	127170
PubChem CID:	50993187
Reduced:	SN3O5H17C22 (1)
Stoich.:	AB3C5D17E22 (1)
Weight, g/mol:	421.117295
ΔH_f, kcal/mol:	-85.27
Dipole, Da:	6.01
IP(EA), eV:	-9.28(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R,4S,5R,6R)-4,5-diacetyloxy-6-(5-fluoro-3-formylindol-1-yl)oxan-3-yl] acetate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C(=C\2/C(=O)C3=CC=CC=C3S(=O)(=O)N2CC(=O)NC4=CC=NC=C4)/O

DOS

IR

Vibrations