Geometry & MOs

Info

ID:	326876
PubChem CID:	126688491
Reduced:	NaSF2O3C4H7 (1)
Stoich.:	ABC2D3E4F7 (1)
Weight, g/mol:	538.149776
ΔH_f, kcal/mol:	-285.42
Dipole, Da:	6.48
IP(EA), eV:	-10.16(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1,1-dihydroxythian-4-yl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

CC(CS(=O)(=O)[O-])C(F)F.[Na+]

DOS

IR

Vibrations