Geometry & MOs

Info

ID:	175570
PubChem CID:	75922852
Reduced:	SO5N6C14H20 (1)
Stoich.:	AB5C6D14E20 (1)
Weight, g/mol:	408.201754
ΔH_f, kcal/mol:	-168.13
Dipole, Da:	7.15
IP(EA), eV:	-9.68(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

dimethyl-[1-thiophen-2-yl-2-[[1-(thiophen-2-ylmethyl)piperidin-1-ium-3-yl]methylcarbamoylamino]ethyl]azanium

Drug info:

PubChemData

Smile

CC1CCCCC12C(=O)N(C(=O)N2)CC(=O)NC3=NNC(=N3)S(=O)(=O)C

DOS

IR

Vibrations