Geometry & MOs

Info

ID:	139178
PubChem CID:	52486725
Reduced:	O2F3N3H22C23 (1)
Stoich.:	A2B3C3D22E23 (1)
Weight, g/mol:	446.1113
ΔH_f, kcal/mol:	-172.81
Dipole, Da:	4.87
IP(EA), eV:	-9.03(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-[(4-bromophenyl)sulfonylamino]-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]propanamide

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)C(=O)N(C=N2)CC(=O)N(C3CC3)[C@@H](C)C4=CC(=CC=C4)C(F)(F)F

DOS

IR

Vibrations