Geometry & MOs

Info

ID:	39108
PubChem CID:	8139708
Reduced:	ClN3O4C16H18 (1)
Stoich.:	AB3C4D16E18 (1)
Weight, g/mol:	416.200788
ΔH_f, kcal/mol:	-114.0
Dipole, Da:	4.08
IP(EA), eV:	-8.56(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

dimethyl-[[2-[[(3-piperidin-1-ylsulfonylbenzoyl)amino]methyl]phenyl]methyl]azanium

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)NC(=O)COC(=O)COC2=CC=CC=C2Cl

DOS

IR

Vibrations