Geometry & MOs

Info

ID:	156575
PubChem CID:	56371216
Reduced:	SN4O4C25H32 (1)
Stoich.:	AB4C4D25E32 (1)
Weight, g/mol:	454.258006
ΔH_f, kcal/mol:	-137.5
Dipole, Da:	6.72
IP(EA), eV:	-8.13(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)propanoylamino]-N-(3-pyrrolidin-1-ylphenyl)butanamide

Drug info:

PubChemData

Smile

CC(CC(=O)NC1=CC(=CC=C1)N2CCCC2)NC(=O)C3CCCN3S(=O)(=O)C4=CC=CC=C4

DOS

IR

Vibrations