Geometry & MOs

Info

ID:	434402
PubChem CID:	135174859
Reduced:	NS2O3C12H25 (1)
Stoich.:	AB2C3D12E25 (1)
Weight, g/mol:	349.080636
ΔH_f, kcal/mol:	-143.85
Dipole, Da:	2.35
IP(EA), eV:	-8.98(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[4-[3-(disulfanylamino)phenoxy]phenyl]methoxy]butan-2-one

Drug info:

PubChemData

Smile

CC(C)NCCOCCOCC(=O)C(C)CSS

DOS

IR

Vibrations