Geometry & MOs

Info

ID:	304981
PubChem CID:	124766385
Reduced:	ClN2O4C18H21 (1)
Stoich.:	AB2C4D18E21 (1)
Weight, g/mol:	364.118985
ΔH_f, kcal/mol:	-160.44
Dipole, Da:	3.45
IP(EA), eV:	-9.65(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC[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