Geometry & MOs

Info

ID:	380457
PubChem CID:	134970908
Reduced:	SO2N3C15H20 (1)
Stoich.:	AB2C3D15E20 (1)
Weight, g/mol:	333.121237
ΔH_f, kcal/mol:	-7.86
Dipole, Da:	3.87
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.756404
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[[(3R,4R)-3-hydroxy-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-4-yl]oxy]propyl]isoindole-1,3-dione

Drug info:

PubChemData

Smile

CC1(C2=NCC(CN2C(N1[O])(C)C)C(=O)C3=CC=CS3)C

DOS

IR

Vibrations