Geometry & MOs

Info

ID:	383116
PubChem CID:	134974665
Reduced:	O2C8H15 (2)
Stoich.:	A2B8C15 (2)
Weight, g/mol:	338.209324
ΔH_f, kcal/mol:	-222.47
Dipole, Da:	5.0
IP(EA), eV:	-9.73(1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2E,4S,5S,6S,7E)-5-methoxy-4,6-dimethyl-8-[(2S,3R)-3-methyl-6-oxooxan-2-yl]nona-2,7-dienoate

Drug info:

PubChemData

Smile

C[C@@H]1CCC(=O)O[C@@H]1[C@@H](C)C[C@H](C)[C@H]([C@@H](C)CO)OC

DOS

IR

Vibrations