Geometry & MOs

Info

ID:	166050
PubChem CID:	74630370
Reduced:	ClOSN4C19H23 (1)
Stoich.:	ABCD4E19F23 (1)
Weight, g/mol:	405.151585
ΔH_f, kcal/mol:	-9.41
Dipole, Da:	6.79
IP(EA), eV:	-8.49(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

7-chloro-2-[[1-(2,3-dimethylphenyl)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

CC1=CC=CC=C1N2C=CN=C2SCC3CC(=O)N4CC(CCC4N3)Cl

DOS

IR

Vibrations