Geometry & MOs

Info

ID:	383296
PubChem CID:	134974934
Reduced:	O2C9H12 (2)
Stoich.:	A2B9C12 (2)
Weight, g/mol:	652.397928
ΔH_f, kcal/mol:	-172.18
Dipole, Da:	4.31
IP(EA), eV:	-9.8(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[(2R)-2-butyl-2-[(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-triethylsilyloxyethyl]-3,4-dihydropyran-6-yl]propanoate

Drug info:

PubChemData

Smile

CCCC[C@@]1(CCCC(=O)O1)[C@@H]2COC(O2)C3=CC=CC=C3

DOS

IR

Vibrations