Geometry & MOs

Info

ID:	304626
PubChem CID:	124765993
Reduced:	ClN2O4C16H17 (1)
Stoich.:	AB2C4D16E17 (1)
Weight, g/mol:	336.087685
ΔH_f, kcal/mol:	-137.96
Dipole, Da:	2.48
IP(EA), eV:	-9.57(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1S,3R,3aR,6aS)-1-(4-chlorophenyl)-3,5-dimethyl-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

C[C@@]1([C@H]2[C@H]([C@H](N1)C3=CC=C(C=C3)Cl)C(=O)N(C2=O)C)C(=O)OC

DOS

IR

Vibrations