Geometry & MOs

Info

ID:	315869
PubChem CID:	126629155
Reduced:	ClNH6C8 (2)
Stoich.:	ABC6D8 (2)
Weight, g/mol:	512.110746
ΔH_f, kcal/mol:	62.73
Dipole, Da:	6.78
IP(EA), eV:	-9.32(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-chlorophenyl)-[3-(8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl)benzimidazol-5-yl]methyl]-1,3-thiazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC(N=C(N3)Cl)Cl

DOS

IR

Vibrations