Geometry & MOs

Info

ID:	51341
PubChem CID:	12013991
Reduced:	NO2H10C11 (2)
Stoich.:	AB2C10D11 (2)
Weight, g/mol:	424.04226
ΔH_f, kcal/mol:	21.2
Dipole, Da:	2.65
IP(EA), eV:	-9.06(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4R,5S)-5-(4-bromophenyl)-4-nitro-2,3-diphenyl-1,2-oxazolidine

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)[C@H]2[C@@H]([C@H](N(O2)C3=CC=CC=C3)C4=CC=CC=C4)[N+](=O)[O-]

DOS

IR

Vibrations