Geometry & MOs

Info

ID:	51338
PubChem CID:	12013986
Reduced:	ClN2O3H17C21 (1)
Stoich.:	AB2C3D17E21 (1)
Weight, g/mol:	424.04226
ΔH_f, kcal/mol:	56.76
Dipole, Da:	3.38
IP(EA), eV:	-8.94(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@H]2[C@H]([C@@H](ON2C3=CC=CC=C3)C4=CC=C(C=C4)Cl)[N+](=O)[O-]

DOS

IR

Vibrations