Geometry & MOs

Info

ID:	54026
PubChem CID:	14719612
Reduced:	NO5C15H19 (1)
Stoich.:	AB5C15D19 (1)
Weight, g/mol:	514.120823
ΔH_f, kcal/mol:	-197.52
Dipole, Da:	5.21
IP(EA), eV:	-9.42(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;4-[[2-(acetylsulfanylmethyl)-3-(4-benzylmorpholin-2-yl)propanoyl]amino]benzenesulfonate

Drug info:

PubChemData

Smile

C1COC(CN1CC2=CC=CC=C2)CC(C(=O)O)C(=O)O

DOS

IR

Vibrations