Geometry & MOs

Info

ID:	337904
PubChem CID:	127258527
Reduced:	OC5H9 (2)
Stoich.:	AB5C9 (2)
Weight, g/mol:	448.337502
ΔH_f, kcal/mol:	-104.13
Dipole, Da:	1.91
IP(EA), eV:	-10.59(0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-ethyl-2-phenylsulfanylhexadecyl) butanoate

Drug info:

PubChemData

Smile

CCCC(=O)OCC1CC1CC

DOS

IR

Vibrations