Geometry & MOs

Info

ID:	46480
PubChem CID:	10524630
Reduced:	NO5C22H35 (1)
Stoich.:	AB5C22D35 (1)
Weight, g/mol:	393.12775
ΔH_f, kcal/mol:	-272.48
Dipole, Da:	5.88
IP(EA), eV:	-8.68(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,3aR,4R,5R)-4,5-dihydroxy-3-[(1R)-1-hydroxyethyl]-2-(2-trimethylsilylethylsulfonyl)-3,3a,4,5,6,7a-hexahydroisoindole-1,7-dione

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)OCC[C@@H](C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)C

DOS

IR

Vibrations