Geometry & MOs

Info

ID:	398660
PubChem CID:	135034626
Reduced:	OC9H11 (2)
Stoich.:	AB9C11 (2)
Weight, g/mol:	492.226037
ΔH_f, kcal/mol:	-47.1
Dipole, Da:	2.46
IP(EA), eV:	-9.4(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3aS,4R,6aS,9aR,10aS,10bR)-2,8,10-trimethyl-1,3,7,9-tetraoxo-4-(2-phenylethyl)-3a,4,6,6a,9a,10,10a,10b-octahydroisoindolo[5,6-e]isoindole-5-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)/C(=C\CCC1=CC=CC=C1)/C(=C)/C=C/C

DOS

IR

Vibrations