Geometry & MOs

Info

ID:	81917
PubChem CID:	49855350
Reduced:	O3C16H22 (1)
Stoich.:	A3B16C22 (1)
Weight, g/mol:	447.262088
ΔH_f, kcal/mol:	-88.7
Dipole, Da:	3.03
IP(EA), eV:	-8.8(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-3-[(2S,3S,4R,5S,6R)-3-hydroxy-4-[(4-methoxyphenyl)methoxy]-2,5,6-trimethyloct-7-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one

Drug info:

PubChemData

Smile

C[C@H](C=C)[C@H](C)[C@H](C=O)OCC1=CC=C(C=C1)OC

DOS

IR

Vibrations