Geometry & MOs

Info

ID:	51339
PubChem CID:	12013987
Reduced:	BrN2O3H17C21 (1)
Stoich.:	AB2C3D17E21 (1)
Weight, g/mol:	380.09277
ΔH_f, kcal/mol:	68.94
Dipole, Da:	3.5
IP(EA), eV:	-8.95(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R,5S)-5-(3-chlorophenyl)-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)Br)[N+](=O)[O-]

DOS

IR

Vibrations