Geometry & MOs

Info

ID:	316099
PubChem CID:	126630076
Reduced:	NOSC6H15 (1)
Stoich.:	ABCD6E15 (1)
Weight, g/mol:	538.199153
ΔH_f, kcal/mol:	-50.92
Dipole, Da:	3.23
IP(EA), eV:	-8.15(0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[1-[4-[4-(4-methoxyphenoxy)phenoxy]carbonyloxyphenyl]cyclopentyl]phenyl] acetate

Drug info:

PubChemData

Smile

CC(C)(C)[S@@](=O)N(C)C

DOS

IR

Vibrations