Geometry & MOs

Info

ID:	380965
PubChem CID:	134971577
Reduced:	O7C17H20 (1)
Stoich.:	A7B17C20 (1)
Weight, g/mol:	456.244664
ΔH_f, kcal/mol:	-280.55
Dipole, Da:	2.62
IP(EA), eV:	-10.3(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-5-benzyl-6a-[[(S)-(4-methylphenyl)sulfinyl]methyl]-2-[(2-methylpropan-2-yl)oxymethyl]-1,2,3,3a,4,6-hexahydropyrrolo[3,4-b]pyrrol-3-ol

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)C(=C(C(=O)OCC)C(=O)OCC)O

DOS

IR

Vibrations