Geometry & MOs

Info

ID:	405324
PubChem CID:	135073479
Reduced:	O5C20H34 (1)
Stoich.:	A5B20C34 (1)
Weight, g/mol:	442.250795
ΔH_f, kcal/mol:	-217.48
Dipole, Da:	4.54
IP(EA), eV:	-9.24(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-[(E)-5-[2,4-bis(phenylmethoxy)phenyl]-3-methylpent-3-enyl]-2,2-dimethyloxirane

Drug info:

PubChemData

Smile

CC(=CCC[C@@]1([C@H](O1)CC[C@]2([C@@H](O2)COC(=O)OC(C)(C)C)C)C)C

DOS

IR

Vibrations