Geometry & MOs

Info

ID:	175302
PubChem CID:	75880773
Reduced:	SN3O3C24H32 (1)
Stoich.:	AB3C3D24E32 (1)
Weight, g/mol:	465.299142
ΔH_f, kcal/mol:	-53.3
Dipole, Da:	4.56
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.013827
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-4-methyl-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]pentanamide

Drug info:

PubChemData

Smile

CC1CCC[NH+](C1)CC2=CC=CC=C2CNC(=O)C3=CC=C(C=C3)S(=O)(=O)NC4CC4

DOS

IR

Vibrations