Geometry & MOs

Info

ID:	313595
PubChem CID:	126616157
Reduced:	ClSF3N3O3H27C32 (1)
Stoich.:	ABC3D3E3F27G32 (1)
Weight, g/mol:	507.093889
ΔH_f, kcal/mol:	-156.85
Dipole, Da:	4.86
IP(EA), eV:	-9.07(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chlorophenyl)-2-[6-[(4-chlorophenyl)-(1,3-thiazol-2-yl)methyl]-2-ethylbenzimidazol-1-yl]ethanol

Drug info:

PubChemData

Smile

C1CC1C2=NC3=C(N2C4CCC5=CC=CC=C5C4)C=C(C=C3)C(C6=CC=C(C=C6)Cl)(C7=NC=CS7)O.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations