Geometry & MOs

Info

ID:	393817
PubChem CID:	135021769
Reduced:	SO4C23H26 (1)
Stoich.:	AB4C23D26 (1)
Weight, g/mol:	340.206986
ΔH_f, kcal/mol:	-102.13
Dipole, Da:	5.01
IP(EA), eV:	-8.61(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,4S,5R)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyethyl]-1-ethenyl-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-3-one

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(O1)C(CC=C)/C(=C/SC2=CC=CC=C2)/OC(=O)C(C)(C)C

DOS

IR

Vibrations