Geometry & MOs

Info

ID:	137497
PubChem CID:	52214587
Reduced:	O2N4C23H24 (1)
Stoich.:	A2B4C23D24 (1)
Weight, g/mol:	320.209993
ΔH_f, kcal/mol:	2.53
Dipole, Da:	4.19
IP(EA), eV:	-9.17(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-4-methyl-N-(2-methylpropyl)pentanamide

Drug info:

PubChemData

Smile

C1[C@H](CN(C1=O)CCC2=CC=CC=C2)C(=O)NC3=CC=NN3CC4=CC=CC=C4

DOS

IR

Vibrations