Geometry & MOs

Info

ID:	304666
PubChem CID:	124766034
Reduced:	N2O5C19H24 (1)
Stoich.:	A2B5C19D24 (1)
Weight, g/mol:	456.168522
ΔH_f, kcal/mol:	-201.55
Dipole, Da:	4.27
IP(EA), eV:	-9.05(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (1S,3S,3aR,6aS)-1-(4-hydroxyphenyl)-4,6-dioxo-3,5-diphenyl-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)OC)C(=O)N(C2=O)C)C(=O)OCC

DOS

IR

Vibrations