Geometry & MOs

Info

ID:	40236
PubChem CID:	8143789
Reduced:	ON3C18H23 (1)
Stoich.:	AB3C18D23 (1)
Weight, g/mol:	394.135114
ΔH_f, kcal/mol:	-22.59
Dipole, Da:	7.27
IP(EA), eV:	-9.12(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(2-phenylsulfanylphenyl)acetamide

Drug info:

PubChemData

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C1CC[C@@H]2[C@@H](C1)CCCN2CC3=NC(=O)C4=CC=CC=C4N3

DOS

IR

Vibrations