Geometry & MOs

Info

ID:	313632
PubChem CID:	126616757
Reduced:	SCl2F3N3O3C25H26 (1)
Stoich.:	AB2C3D3E3F25G26 (1)
Weight, g/mol:	500.154595
ΔH_f, kcal/mol:	-234.35
Dipole, Da:	7.11
IP(EA), eV:	-8.98(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,4-dichlorophenyl)-4-[(4-fluorophenyl)methylidene]-N-piperidin-1-yl-2,5,6,7-tetrahydrobenzimidazole-1-carboxamide

Drug info:

PubChemData

Smile

C1CCOC(C1)N2C3=C(C=C(C=C3)C(C4=CC=C(C=C4)Cl)Cl)C(=N2)C5CCN(CC5)S(=O)(=O)C(F)(F)F

DOS

IR

Vibrations