Geometry & MOs

Info

ID:	141663
PubChem CID:	52910585
Reduced:	N4O5C27H36 (1)
Stoich.:	A4B5C27D36 (1)
Weight, g/mol:	500.233151
ΔH_f, kcal/mol:	-191.05
Dipole, Da:	3.06
IP(EA), eV:	-8.23(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[3-oxo-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide

Drug info:

PubChemData

Smile

CC(C)[C@H](C(=O)NC1=CC=C(C=C1)NC(=O)N2CCCCCC2)NC(=O)C3=CC(=CC(=C3)OC)OC

DOS

IR

Vibrations