Geometry & MOs

Info

ID:	406458
PubChem CID:	135077670
Reduced:	SiO4C19H28 (1)
Stoich.:	AB4C19D28 (1)
Weight, g/mol:	259.157229
ΔH_f, kcal/mol:	-209.19
Dipole, Da:	2.39
IP(EA), eV:	-8.95(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,6R,7aS)-6-methyl-7a-phenyl-3-propan-2-yl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-one

Drug info:

PubChemData

Smile

C[C@]12CC[C@H]([C@@H]3[C@H]1C(=O)C=CC3=O)C(C2=O)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations