Geometry & MOs

Info

ID:	355794
PubChem CID:	127290646
Reduced:	SN2O2C14H20 (1)
Stoich.:	AB2C2D14E20 (1)
Weight, g/mol:	392.086449
ΔH_f, kcal/mol:	-62.06
Dipole, Da:	3.61
IP(EA), eV:	-9.24(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonyl-1,3-dihydroisoindole

Drug info:

PubChemData

Smile

CC1CCCN(C1)S(=O)(=O)N2CC3=CC=CC=C3C2

DOS

IR

Vibrations