Geometry & MOs

Info

ID:	303635
PubChem CID:	124489983
Reduced:	N2O4H20C23 (1)
Stoich.:	A2B4C20D23 (1)
Weight, g/mol:	388.142307
ΔH_f, kcal/mol:	-5.09
Dipole, Da:	5.11
IP(EA), eV:	-9.75(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,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

C1[C@H]2[C@@H](O[C@@H](N2[C@H](O1)C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=C(C=C5)[N+](=O)[O-]

DOS

IR

Vibrations