Geometry & MOs

Info

ID:	139457
PubChem CID:	52533724
Reduced:	SN2F3O3C21H21 (1)
Stoich.:	AB2C3D3E21F21 (1)
Weight, g/mol:	438.122498
ΔH_f, kcal/mol:	-231.32
Dipole, Da:	6.42
IP(EA), eV:	-9.01(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-2-[2-[[(3S)-1,1-dioxothiolan-3-yl]methyl]benzimidazol-1-yl]-1-[2-(trifluoromethyl)phenyl]ethanol

Drug info:

PubChemData

Smile

C1CS(=O)(=O)C[C@H]1CC2=NC3=CC=CC=C3N2C[C@H](C4=CC=CC=C4C(F)(F)F)O

DOS

IR

Vibrations