Geometry & MOs

Info

ID:	381809
PubChem CID:	134972641
Reduced:	NSiS2O3C29H35 (1)
Stoich.:	ABC2D3E29F35 (1)
Weight, g/mol:	228.136159
ΔH_f, kcal/mol:	-98.6
Dipole, Da:	6.21
IP(EA), eV:	-8.86(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-4-[(4R,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]pentane-2,3-dione

Drug info:

PubChemData

Smile

C[C@H](CCCCS(=O)(=O)C1=NC2=CC=CC=C2S1)O[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C

DOS

IR

Vibrations