Geometry & MOs

Info

ID:	314685
PubChem CID:	126622718
Reduced:	SF3N3O4C17H18 (1)
Stoich.:	AB3C3D4E17F18 (1)
Weight, g/mol:	492.138675
ΔH_f, kcal/mol:	-241.96
Dipole, Da:	7.48
IP(EA), eV:	-9.3(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[6-[(4-chlorophenyl)-(1,3-thiazol-2-yl)methyl]-2-cyclopropylbenzimidazol-1-yl]piperidine-1-carboxylic acid

Drug info:

PubChemData

Smile

C1CC1N2C(=C3C=C(C=CC3=N2)C(=O)O)C4CCN(CC4)S(=O)(=O)C(F)(F)F

DOS

IR

Vibrations