Geometry & MOs

Info

ID:	175475
PubChem CID:	75909535
Reduced:	O3N5C17H21 (1)
Stoich.:	A3B5C17D21 (1)
Weight, g/mol:	418.08
ΔH_f, kcal/mol:	8.49
Dipole, Da:	5.04
IP(EA), eV:	-8.87(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-[(4-bromophenyl)sulfonylamino]-N-(1-ethylpiperidin-1-ium-3-yl)propanamide

Drug info:

PubChemData

Smile

CCN1CCCC(C1)NC(=O)C2=CC(=C(C=C2)N3C=CN=C3)[N+](=O)[O-]

DOS

IR

Vibrations