Geometry & MOs

Info

ID:	85082
PubChem CID:	49871637
Reduced:	OC4H4 (4)
Stoich.:	AB4C4 (4)
Weight, g/mol:	478.329439
ΔH_f, kcal/mol:	-109.63
Dipole, Da:	2.88
IP(EA), eV:	-9.54(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methoxyphenyl)methyl (3S,4S,6S,8R,10S)-3-hydroxy-4,6,8,10-tetramethyl-11-(oxan-2-yloxy)undecanoate

Drug info:

PubChemData

Smile

COC(=O)C1(C=CC(=C)C1C2=CC=CC=C2)C(=O)OC

DOS

IR

Vibrations