Geometry & MOs

Info

ID:	322833
PubChem CID:	126671286
Reduced:	NSO3C15H23 (1)
Stoich.:	ABC3D15E23 (1)
Weight, g/mol:	269.108565
ΔH_f, kcal/mol:	-115.98
Dipole, Da:	2.17
IP(EA), eV:	-8.16(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[3-(methylsulfanylamino)phenoxy]ethoxy]butan-2-one

Drug info:

PubChemData

Smile

CCNC1=CC(=CC=C1)OCCCCOCC(=O)SC

DOS

IR

Vibrations