Geometry & MOs

Info

ID:	304938
PubChem CID:	124766333
Reduced:	N2O5C19H24 (1)
Stoich.:	A2B5C19D24 (1)
Weight, g/mol:	360.168522
ΔH_f, kcal/mol:	-175.54
Dipole, Da:	1.1
IP(EA), eV:	-8.95(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)[C@@]1([C@H]2[C@H]([C@H](N1)C3=CC=CC=C3OC)C(=O)N(C2=O)C)C(=O)OC

DOS

IR

Vibrations