Geometry & MOs

Info

ID:	380968
PubChem CID:	134971580
Reduced:	NOSC19H21 (1)
Stoich.:	ABCD19E21 (1)
Weight, g/mol:	460.218449
ΔH_f, kcal/mol:	32.98
Dipole, Da:	4.73
IP(EA), eV:	-8.38(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[S@@](=O)CC2=CCN(C2)CC3=CC=CC=C3

DOS

IR

Vibrations