Geometry & MOs

Info

ID:	132826
PubChem CID:	51427149
Reduced:	S2N4O4C17H22 (1)
Stoich.:	A2B4C4D17E22 (1)
Weight, g/mol:	328.202502
ΔH_f, kcal/mol:	-81.08
Dipole, Da:	5.51
IP(EA), eV:	-9.5(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[4-[2-(tert-butylamino)-2-oxoethoxy]phenyl]methyl-(pyridin-4-ylmethyl)azanium

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=NN=C(S1)S(=O)(=O)N2CCCCCC2)OC3=CC=CC=C3

DOS

IR

Vibrations