Geometry & MOs

Info

ID:	51342
PubChem CID:	12013994
Reduced:	BrN2O3H17C21 (1)
Stoich.:	AB2C3D17E21 (1)
Weight, g/mol:	404.137222
ΔH_f, kcal/mol:	65.67
Dipole, Da:	2.27
IP(EA), eV:	-9.02(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(3R,4R,5S)-4-nitro-2,3-diphenyl-1,2-oxazolidin-5-yl]benzoate

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