Geometry & MOs

Info

ID:	179253
PubChem CID:	76456346
Reduced:	SC5O8H10 (1)
Stoich.:	AB5C8D10 (1)
Weight, g/mol:	414.217302
ΔH_f, kcal/mol:	-345.04
Dipole, Da:	1.14
IP(EA), eV:	-10.81(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[4-(8-chloro-3-hydroxy-4-methyloct-1-enyl)-5-hydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-ylidene]pentanoate

Drug info:

PubChemData

Smile

C1(C(C(OC1C(O)S(=O)(=O)O)O)O)O

DOS

IR

Vibrations