Geometry & MOs

Info

ID:	434401
PubChem CID:	135174858
Reduced:	NO2C10H23 (1)
Stoich.:	AB2C10D23 (1)
Weight, g/mol:	295.127586
ΔH_f, kcal/mol:	-109.79
Dipole, Da:	3.34
IP(EA), eV:	-8.88(2.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(disulfanyl)-3-methyl-1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butan-2-one

Drug info:

PubChemData

Smile

CCCOCCCCOCCNC

DOS

IR

Vibrations