Geometry & MOs

Info

ID:	383093
PubChem CID:	134974627
Reduced:	O7C14H24 (1)
Stoich.:	A7B14C24 (1)
Weight, g/mol:	348.02224
ΔH_f, kcal/mol:	-332.16
Dipole, Da:	2.72
IP(EA), eV:	-9.9(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S,5Z)-3-hydroxy-2-[(1E,3Z)-4-iodobuta-1,3-dienyl]-2,3,4,7,8,9-hexahydrooxecin-10-one

Drug info:

PubChemData

Smile

CC1(OC[C@]2(O1)CC[C@H](C([C@@H]2C(=O)OC)(OC)OC)O)C

DOS

IR

Vibrations