Geometry & MOs

Info

ID:	144566
PubChem CID:	53386473
Reduced:	O3C16H16 (1)
Stoich.:	A3B16C16 (1)
Weight, g/mol:	328.243372
ΔH_f, kcal/mol:	-95.2
Dipole, Da:	6.81
IP(EA), eV:	-9.44(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[(2R,3R,5R)-5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-methyloxolan-2-yl]but-2-en-1-ol

Drug info:

PubChemData

Smile

CC1=CC[C@]2([C@@H](C1)C3=CC=CC=C3OC2=O)C(=O)C

DOS

IR

Vibrations