Geometry & MOs

Info

ID:	140363
PubChem CID:	52686930
Reduced:	OSN4C21H24 (1)
Stoich.:	ABC4D21E24 (1)
Weight, g/mol:	460.227003
ΔH_f, kcal/mol:	41.84
Dipole, Da:	3.42
IP(EA), eV:	-8.68(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

dimethyl-[2-[4-[[(2-methyl-5-piperidin-1-ylsulfonylbenzoyl)amino]methyl]phenoxy]ethyl]azanium

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N2C(=NN=C2SCC(=O)C(C)(C)C)C3=CC=CC=N3)C

DOS

IR

Vibrations