Geometry & MOs

Info

ID:	394741
PubChem CID:	135023668
Reduced:	BrNO2C16H16 (1)
Stoich.:	ABC2D16E16 (1)
Weight, g/mol:	352.160705
ΔH_f, kcal/mol:	-8.28
Dipole, Da:	3.19
IP(EA), eV:	-9.43(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S,5S)-2-benzyl-3-phenyl-4-trimethylsilyloxy-1,2-oxazolidine-5-carbonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2[C@@H]([C@H](C(O2)O)Br)C3=CC=CC=C3

DOS

IR

Vibrations