Geometry & MOs

Info

ID:	322667
PubChem CID:	126670765
Reduced:	NSO3C20H31 (1)
Stoich.:	ABC3D20E31 (1)
Weight, g/mol:	507.189317
ΔH_f, kcal/mol:	-116.12
Dipole, Da:	4.22
IP(EA), eV:	-8.75(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2R,3R,4R,5R)-2,5,6-trihydroxy-3,4-bis(phenylmethoxy)hexoxy]isoindole-1,3-dione

Drug info:

PubChemData

Smile

CC[C@H](C1CCC(CC1)N2CC(C2)OC)C3=C(C(=CS3)C(=O)OC)C

DOS

IR

Vibrations