Geometry & MOs

Info

ID:	304833
PubChem CID:	124766220
Reduced:	ClN2O4C18H21 (1)
Stoich.:	AB2C4D18E21 (1)
Weight, g/mol:	364.118985
ΔH_f, kcal/mol:	-150.37
Dipole, Da:	2.75
IP(EA), eV:	-9.55(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations