Geometry & MOs

Info

ID:	51340
PubChem CID:	12013988
Reduced:	ClN2O3H17C21 (1)
Stoich.:	AB2C3D17E21 (1)
Weight, g/mol:	376.142307
ΔH_f, kcal/mol:	56.87
Dipole, Da:	3.09
IP(EA), eV:	-8.91(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4R,5S)-5-(4-methoxyphenyl)-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(=CC=C4)Cl)[N+](=O)[O-]

DOS

IR

Vibrations