Geometry & MOs

Info

ID:	380830
PubChem CID:	134971399
Reduced:	NSO4C19H24 (2)
Stoich.:	ABC4D19E24 (2)
Weight, g/mol:	364.097408
ΔH_f, kcal/mol:	-247.18
Dipole, Da:	6.13
IP(EA), eV:	-8.6(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1,4-bis(2-aminoethoxy)-3-methylsulfonyloxybutan-2-yl] methanesulfonate

Drug info:

PubChemData

Smile

CS(=O)(=O)O[C@@H](COCCN(CC1=CC=CC=C1)CC2=CC=CC=C2)[C@H](COCCN(CC3=CC=CC=C3)CC4=CC=CC=C4)OS(=O)(=O)C

DOS

IR

Vibrations