Geometry & MOs

Info

ID:	304972
PubChem CID:	124766376
Reduced:	N2O5C15H18 (1)
Stoich.:	A2B5C15D18 (1)
Weight, g/mol:	332.137222
ΔH_f, kcal/mol:	-176.74
Dipole, Da:	3.81
IP(EA), eV:	-9.72(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1S,3R,3aR,6aS)-1-(4-methoxyphenyl)-3,5-dimethyl-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=CO3)C(=O)N(C2=O)C)C(=O)OC

DOS

IR

Vibrations