Geometry & MOs

Info

ID:	327232
PubChem CID:	126689298
Reduced:	CSH2O3 (2)
Stoich.:	ABC2D3 (2)
Weight, g/mol:	474.187875
ΔH_f, kcal/mol:	-235.85
Dipole, Da:	1.6
IP(EA), eV:	-9.67(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[(2S)-1,2-dimethyl-5-oxopyrrolidin-2-yl]-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

C=C(OS(=O)O)OS(=O)O

DOS

IR

Vibrations