Geometry & MOs

Info

ID:	380583
PubChem CID:	134971068
Reduced:	FOC10H10 (2)
Stoich.:	ABC10D10 (2)
Weight, g/mol:	381.142367
ΔH_f, kcal/mol:	-142.76
Dipole, Da:	2.51
IP(EA), eV:	-9.52(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[(3S,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]oxypropyl]isoindole-1,3-dione

Drug info:

PubChemData

Smile

CC[C@@H]1[C@@H](C2C(O1)C3=C([C@@H](O2)C)C(=CC=C3)F)C4=CC=CC=C4F

DOS

IR

Vibrations