Geometry & MOs

Info

ID:	51356
PubChem CID:	12014010
Reduced:	O4C17H24 (1)
Stoich.:	A4B17C24 (1)
Weight, g/mol:	539.339944
ΔH_f, kcal/mol:	-155.76
Dipole, Da:	1.81
IP(EA), eV:	-9.31(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,2S,4R)-2-(2-phenylpropan-2-yl)-4-propan-2-ylcyclohexyl] (E)-3-[1-(diethylcarbamoyl)naphthalen-2-yl]prop-2-enoate

Drug info:

PubChemData

Smile

C[C@@]1([C@](O[C@H]2CCCC[C@@H]2O1)(C3=CC=CC=C3)OC)OC

DOS

IR

Vibrations