Geometry & MOs

Info

ID:	165726
PubChem CID:	74587706
Reduced:	SN3O3C22H35 (1)
Stoich.:	AB3C3D22E35 (1)
Weight, g/mol:	471.277144
ΔH_f, kcal/mol:	-134.96
Dipole, Da:	4.9
IP(EA), eV:	-8.5(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-(1,2,3,4,5,6,7,8,9,9a-decahydroquinolizin-5-ium-1-ylmethyl)-4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-4-oxobutanamide

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NCC1CCCN2C1CCCC2)NS(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations