Geometry & MOs

Info

ID:	83338
PubChem CID:	49857466
Reduced:	SiO5C29H48 (1)
Stoich.:	AB5C29D48 (1)
Weight, g/mol:	296.02733
ΔH_f, kcal/mol:	-287.05
Dipole, Da:	2.17
IP(EA), eV:	-8.79(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E,3S)-7-iodo-3-methyloct-6-enoate

Drug info:

PubChemData

Smile

C[C@@H]1C[C@H](O[C@]2(C1)C[C@H](C[C@H](O2)[C@H]([C@@H](C)COCC3=CC=CC=C3)O[Si](C)(C)C(C)(C)C)C)C=O

DOS

IR

Vibrations