Geometry & MOs

Info

ID:	386633
PubChem CID:	134982409
Reduced:	SO3H24C28 (1)
Stoich.:	AB3C24D28 (1)
Weight, g/mol:	354.173213
ΔH_f, kcal/mol:	-14.13
Dipole, Da:	4.12
IP(EA), eV:	-8.53(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,3aS,7aR)-1-oxo-3-phenyl-2-(2-phenylpropan-2-yl)-3a,7a-dihydro-3H-isoindole-5-carbonitrile

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)(C(C2=CC=CC=C2)S(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4

DOS

IR

Vibrations