Geometry & MOs

Info

ID:	218444
PubChem CID:	85089456
Reduced:	N3O4C26H49 (1)
Stoich.:	A3B4C26D49 (1)
Weight, g/mol:	467.072368
ΔH_f, kcal/mol:	-274.69
Dipole, Da:	2.63
IP(EA), eV:	-9.8(0.21)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

disodium;5-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCC(=O)NC(CO)C(=O)N1CCCC1C(=O)N

DOS

IR

Vibrations