Geometry & MOs

Info

ID:	402007
PubChem CID:	135053840
Reduced:	O5C22H22 (1)
Stoich.:	A5B22C22 (1)
Weight, g/mol:	328.142307
ΔH_f, kcal/mol:	-135.71
Dipole, Da:	7.24
IP(EA), eV:	-8.73(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S,5R)-5-ethyl-3-(4-methoxyphenyl)-4-nitro-2-phenyl-1,2-oxazolidine

Drug info:

PubChemData

Smile

CCOC1=C(C(=O)[C@@]([C@H]1C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)OCC)O

DOS

IR

Vibrations