Geometry & MOs

Info

ID:	224885
PubChem CID:	85583237
Reduced:	NS2O6C32H59 (1)
Stoich.:	AB2C6D32E59 (1)
Weight, g/mol:	404.235145
ΔH_f, kcal/mol:	-362.2
Dipole, Da:	1.84
IP(EA), eV:	-9.45(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-4-[[4-[4-(2-propoxypropoxy)phenyl]phenyl]methoxy]benzene

Drug info:

PubChemData

Smile

CCCCCCCCCCCOC(=O)CCC(C(=O)OCCCCCCCCCCC)NC(=O)CSC(=S)OCC

DOS

IR

Vibrations