Geometry & MOs

Info

ID:	175251
PubChem CID:	75873539
Reduced:	ClSN2O4C19H27 (1)
Stoich.:	ABC2D4E19F27 (1)
Weight, g/mol:	449.151107
ΔH_f, kcal/mol:	-144.45
Dipole, Da:	2.2
IP(EA), eV:	-9.46(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-(2,5-dichlorophenyl)-3-[2-[(phenylcarbamoylamino)methyl]piperidin-1-ium-1-yl]propanamide

Drug info:

PubChemData

Smile

CC(C)C(C)N(C1CC1)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl

DOS

IR

Vibrations