Geometry & MOs

Info

ID:	390386
PubChem CID:	134998880
Reduced:	O5C21H30 (1)
Stoich.:	A5B21C30 (1)
Weight, g/mol:	351.183444
ΔH_f, kcal/mol:	-222.39
Dipole, Da:	6.03
IP(EA), eV:	-9.62(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2S)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3,3-diphenyloxiran-2-yl]propan-2-ol

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@H]([C@]2([C@H]1CC(=O)[C@@]3(C2CC=C([C@H]3CC(=O)O)C)C=O)C)OC

DOS

IR

Vibrations