Geometry & MOs

Info

ID:	132756
PubChem CID:	51413537
Reduced:	SN3O4C21H23 (1)
Stoich.:	AB3C4D21E23 (1)
Weight, g/mol:	309.172879
ΔH_f, kcal/mol:	-105.74
Dipole, Da:	3.92
IP(EA), eV:	-8.73(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,6E,7aS)-6-(4-methylpent-3-enylidene)-2-phenyl-4,5,7,7a-tetrahydro-3aH-isoindole-1,3-dione

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)N2C(=O)C[C@@H](C2=O)SC(=NCCO)NC3=CC=CC=C3

DOS

IR

Vibrations