Geometry & MOs

Info

ID:	79705
PubChem CID:	49830040
Reduced:	ClSN2O2H21C22 (1)
Stoich.:	ABC2D2E21F22 (1)
Weight, g/mol:	409.285991
ΔH_f, kcal/mol:	-32.08
Dipole, Da:	6.28
IP(EA), eV:	-8.5(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

[(3S)-3-carbamoyl-3-(2-chlorophenyl)-5-piperidin-1-ium-1-ylpentyl]-di(propan-2-yl)azanium

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NC(=O)CN(C)C(=O)C=CC2=C(C3=CC=CC=C3S2)Cl)C

DOS

IR

Vibrations