Geometry & MOs

Info

ID:	164829
PubChem CID:	74459504
Reduced:	SF2O3N5C22H27 (1)
Stoich.:	AB2C3D5E22F27 (1)
Weight, g/mol:	465.334185
ΔH_f, kcal/mol:	-164.77
Dipole, Da:	2.86
IP(EA), eV:	-8.77(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(1-cyclopentyltetrazol-5-yl)methyl-[(7,8-dimethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-3-yl)methyl]-(2-phenylethyl)azanium

Drug info:

PubChemData

Smile

C=CCN1C2NN=C(N2C3CCCCC3C1=O)SCC(=O)NCC4=CC=CC=C4OC(F)F

DOS

IR

Vibrations