Geometry & MOs

Info

ID:	382924
PubChem CID:	134974363
Reduced:	O2C9H17 (2)
Stoich.:	A2B9C17 (2)
Weight, g/mol:	366.240624
ΔH_f, kcal/mol:	-210.91
Dipole, Da:	3.8
IP(EA), eV:	-9.33(1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations