Geometry & MOs

Info

ID:	341032
PubChem CID:	127263467
Reduced:	NO4H27C28 (1)
Stoich.:	AB4C27D28 (1)
Weight, g/mol:	426.17102
ΔH_f, kcal/mol:	-115.14
Dipole, Da:	2.27
IP(EA), eV:	-8.78(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-benzyl-3a-(4-chlorophenyl)-6-oxo-1,3,4,6a-tetrahydropyrrolo[3,4-c]pyrrole-5-carboxylate

Drug info:

PubChemData

Smile

C1C[C@H]([C@H](C1)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)OCC5=CC=CC=C5

DOS

IR

Vibrations