Geometry & MOs

Info

ID:	144056
PubChem CID:	53305271
Reduced:	O5C21H36 (1)
Stoich.:	A5B21C36 (1)
Weight, g/mol:	468.251189
ΔH_f, kcal/mol:	-248.65
Dipole, Da:	5.58
IP(EA), eV:	-9.93(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,5R,6S)-5-hydroxy-1-[(4-methoxyphenyl)methoxy]-6-methylnon-8-en-3-yl] 2-hydroxy-6-prop-2-enylbenzoate

Drug info:

PubChemData

Smile

CCCCCCCCCCO[C@@H]1C=CC(=O)[C@H](O1)COC(=O)C(C)(C)C

DOS

IR

Vibrations