Geometry & MOs

Info

ID:	165791
PubChem CID:	74599185
Reduced:	SO2N3C26H35 (1)
Stoich.:	AB2C3D26E35 (1)
Weight, g/mol:	465.232422
ΔH_f, kcal/mol:	-93.22
Dipole, Da:	4.94
IP(EA), eV:	-8.48(0.18)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-(1-benzylpiperidin-1-ium-4-yl)-3-(3-oxo-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),4,6-trien-5-yl)propanamide

Drug info:

PubChemData

Smile

CC1CCC2=C(C1)SC3C2C(=O)NC(N3)CCC(=O)N4CCC(CC4)CC5=CC=CC=C5

DOS

IR

Vibrations