Geometry & MOs

Info

ID:	217969
PubChem CID:	85088670
Reduced:	O4C27H28 (1)
Stoich.:	A4B27C28 (1)
Weight, g/mol:	416.165745
ΔH_f, kcal/mol:	-73.02
Dipole, Da:	1.64
IP(EA), eV:	-9.08(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-[2-[(4-methoxyphenyl)methylsulfanyl]-4-phenylbutyl]propanedioate

Drug info:

PubChemData

Smile

C1C(C(C(=CCOCC2=CC=CC=C2)O1)OCC3=CC=CC=C3)OCC4=CC=CC=C4

DOS

IR

Vibrations