Geometry & MOs

Info

ID:	434607
PubChem CID:	135175342
Reduced:	NOC14H23 (1)
Stoich.:	ABC14D23 (1)
Weight, g/mol:	267.096286
ΔH_f, kcal/mol:	-49.04
Dipole, Da:	1.18
IP(EA), eV:	-8.61(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[3-(disulfanylamino)propoxy]ethoxy]-3-methylbutan-2-one

Drug info:

PubChemData

Smile

C[C@H](CNC)OC1=CC=CC(=C1)C(C)(C)C

DOS

IR

Vibrations