Geometry & MOs

Info

ID:	44294
PubChem CID:	10502559
Reduced:	O4C27H38 (1)
Stoich.:	A4B27C38 (1)
Weight, g/mol:	426.243765
ΔH_f, kcal/mol:	-186.89
Dipole, Da:	3.98
IP(EA), eV:	-8.88(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(R)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-4-hexanoyl-2H-furan-5-one

Drug info:

PubChemData

Smile

CC(CC(C)(C)C)COC(=O)C1=CC=C(C=C1)C2=C(C=C(C=C2)C(C)(C)C)OCOC

DOS

IR

Vibrations