Geometry & MOs

Info

ID:	226140
PubChem CID:	87325890
Reduced:	N2O5H40C46 (1)
Stoich.:	A2B5C40D46 (1)
Weight, g/mol:	336.04942
ΔH_f, kcal/mol:	-34.83
Dipole, Da:	5.94
IP(EA), eV:	-8.23(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

butanoic acid;trimethyl(2-sulfanylethyl)azanium;hydroiodide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OCC(CCOC4=CC=C(C=C4)C5=NC6=C(N5)C7=CC=CC=C7C8=CC=CC=C86)O

DOS

IR

Vibrations