Geometry & MOs

Info

ID:	303634
PubChem CID:	124489982
Reduced:	ClON2C13H13 (2)
Stoich.:	ABC2D13E13 (2)
Weight, g/mol:	388.142307
ΔH_f, kcal/mol:	-16.92
Dipole, Da:	2.96
IP(EA), eV:	-8.52(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,5R,7S,7aS)-7-(4-nitrophenyl)-3,5-diphenyl-3,5,7,7a-tetrahydro-1H-[1,3]oxazolo[3,4-c][1,3]oxazole

Drug info:

PubChemData

Smile

C[C@@H]1CN([C@@H](CN1CC2=CC(=C3C=CC=NC3=C2O)Cl)C)CC4=CC(=C5C=CC=NC5=C4O)Cl

DOS

IR

Vibrations