Geometry & MOs

Info

ID:	394959
PubChem CID:	135024278
Reduced:	OC6H6 (3)
Stoich.:	AB6C6 (3)
Weight, g/mol:	540.366628
ΔH_f, kcal/mol:	-92.85
Dipole, Da:	6.92
IP(EA), eV:	-9.53(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2Z,4E)-6-[tert-butyl(dimethyl)silyl]oxy-6-[(5R)-5-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2-methyloxolan-2-yl]-3-methylhexa-2,4-dienoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[C@@H]2CC3C4=C(C2(C(=O)O3)C)CCC4=O

DOS

IR

Vibrations