Geometry & MOs

Info

ID:	179164
PubChem CID:	76444056
Reduced:	O5C27H46 (1)
Stoich.:	A5B27C46 (1)
Weight, g/mol:	550.386954
ΔH_f, kcal/mol:	-287.04
Dipole, Da:	3.68
IP(EA), eV:	-9.88(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 7-[5-hydroxy-2-[5-methyl-3-(oxan-2-yloxy)oct-1-enyl]-3-(oxan-2-yloxy)cyclopentyl]hept-5-enoate

Drug info:

PubChemData

Smile

CCOC(C(=O)CCCCC1C(CCC1=O)CCCCC2CCC(CC2)C)C(=O)OCC

DOS

IR

Vibrations