Geometry & MOs

Info

ID:	45753
PubChem CID:	10517315
Reduced:	O4C17H18 (1)
Stoich.:	A4B17C18 (1)
Weight, g/mol:	286.131742
ΔH_f, kcal/mol:	-100.26
Dipole, Da:	0.95
IP(EA), eV:	-9.41(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,3aS,6aR)-3-benzoyl-5-ethyl-2-methyl-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione

Drug info:

PubChemData

Smile

CC1=C(C[C@H](C[C@@H]1O)OC(=O)OCC2=CC=CC=C2)C#C

DOS

IR

Vibrations