Geometry & MOs

Info

ID:	360492
PubChem CID:	127301137
Reduced:	N3O3C23H27 (1)
Stoich.:	A3B3C23D27 (1)
Weight, g/mol:	368.140593
ΔH_f, kcal/mol:	-108.38
Dipole, Da:	2.69
IP(EA), eV:	-8.37(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-(1,1-dioxothiolan-3-yl)-N-prop-2-enylacetamide

Drug info:

PubChemData

Smile

C1CCC2C(C1)C(=O)N(C2=O)CC(=O)N3CCCCC3C4=CC5=CC=CC=C5N4

DOS

IR

Vibrations