Geometry & MOs

Info

ID:	393112
PubChem CID:	135019439
Reduced:	OSiS2C18H30 (1)
Stoich.:	ABC2D18E30 (1)
Weight, g/mol:	232.073559
ΔH_f, kcal/mol:	-100.11
Dipole, Da:	3.57
IP(EA), eV:	-8.65(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,4aR,8aS)-2-phenyl-4a,8a-dihydro-4H-pyrano[3,2-d][1,3]dioxin-6-one

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)O[C@H](CC1SCCCS1)C2=CC=CC=C2

DOS

IR

Vibrations