Geometry & MOs

Info

ID:	163236
PubChem CID:	57654988
Reduced:	NO5C10H13 (1)
Stoich.:	AB5C10D13 (1)
Weight, g/mol:	439.106496
ΔH_f, kcal/mol:	-97.0
Dipole, Da:	3.7
IP(EA), eV:	-9.67(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-(ethoxysulfonothioylmethylamino)propyl-(ethylsulfonylsulfanylmethyl)-bis(2-hydroxyethyl)azanium

Drug info:

PubChemData

Smile

CC1(CC(=C(C1=O)O)N(OC=C)OC=C)O

DOS

IR

Vibrations