Geometry & MOs

Info

ID:	51336
PubChem CID:	12013983
Reduced:	N3O3C23H23 (1)
Stoich.:	A3B3C23D23 (1)
Weight, g/mol:	376.142307
ΔH_f, kcal/mol:	64.79
Dipole, Da:	4.61
IP(EA), eV:	-8.42(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)[C@H]2[C@@H]([C@@H](N(O2)C3=CC=CC=C3)C4=CC=CC=C4)[N+](=O)[O-]

DOS

IR

Vibrations