Geometry & MOs

Info

ID:	304832
PubChem CID:	124766219
Reduced:	N2O5C16H20 (1)
Stoich.:	A2B5C16D20 (1)
Weight, g/mol:	364.118985
ΔH_f, kcal/mol:	-182.81
Dipole, Da:	4.39
IP(EA), eV:	-9.66(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (1S,3R,3aR,6aR)-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

CCC[C@]1([C@H]2[C@@H]([C@H](N1)C3=CC=CO3)C(=O)N(C2=O)C)C(=O)OC

DOS

IR

Vibrations