Geometry & MOs

Info

ID:	424097
PubChem CID:	135121307
Reduced:	ON6C24H28 (1)
Stoich.:	AB6C24D28 (1)
Weight, g/mol:	449.154195
ΔH_f, kcal/mol:	67.62
Dipole, Da:	6.38
IP(EA), eV:	-8.41(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2S)-2-(butylsulfonylamino)-3-(4-butylsulfonyloxyphenyl)propanoate

Drug info:

PubChemData

Smile

C1CNNC1C2=NC=CC3=C2N=C(C=C3N4CCC5=CC=CC=C5C4)N6CCOCC6

DOS

IR

Vibrations