Geometry & MOs

Info

ID:	166048
PubChem CID:	74630247
Reduced:	SF3O3N4C21H23 (1)
Stoich.:	AB3C3D4E21F23 (1)
Weight, g/mol:	391.135935
ΔH_f, kcal/mol:	-219.5
Dipole, Da:	8.42
IP(EA), eV:	-8.99(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

7-chloro-2-[[1-(2-methylphenyl)imidazol-2-yl]sulfanylmethyl]-2,3,5,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Drug info:

PubChemData

Smile

CC(=O)N(C1=CC=CC(=C1)C(F)(F)F)C2=NC(=CS2)COC(=O)C3CCC4CNNC4C3

DOS

IR

Vibrations