Geometry & MOs

Info

ID:	431556
PubChem CID:	135171644
Reduced:	NOC15H31 (1)
Stoich.:	ABC15D31 (1)
Weight, g/mol:	492.287574
ΔH_f, kcal/mol:	-92.13
Dipole, Da:	2.92
IP(EA), eV:	-8.3(2.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-2-[(1R)-1-hydroxyethyl]-6-oxo-6-[4-[2-[4-(5-propoxypentyl)phenyl]ethynyl]phenyl]hexanoate

Drug info:

PubChemData

Smile

CCCC(CC)N(CC(C)C)C1CCOCC1

DOS

IR

Vibrations