Geometry & MOs

Info

ID:	79195
PubChem CID:	49747356
Reduced:	SO3N4C25H30 (1)
Stoich.:	AB3C4D25E30 (1)
Weight, g/mol:	497.198442
ΔH_f, kcal/mol:	-60.57
Dipole, Da:	5.18
IP(EA), eV:	-9.34(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1,3-dioxoisoindol-2-yl)-N-[2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]butanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2CCNC(=O)C3=CC=C(C=C3)CN4C=CN=C4

DOS

IR

Vibrations