Geometry & MOs

Info

ID:	393200
PubChem CID:	135019703
Reduced:	O3C13H22 (2)
Stoich.:	A3B13C22 (2)
Weight, g/mol:	397.090328
ΔH_f, kcal/mol:	-329.65
Dipole, Da:	4.59
IP(EA), eV:	-10.43(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-chlorophenyl)methyl]-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindole

Drug info:

PubChemData

Smile

CCCCCCCCCCCCC[C@H](CC1CC(CC2(O1)C[C@@H]3[C@H](O2)C=CC(=O)O3)O)O

DOS

IR

Vibrations