Geometry & MOs

Info

ID:	326888
PubChem CID:	126688564
Reduced:	ClSO4N8C19H27 (1)
Stoich.:	ABC4D8E19F27 (1)
Weight, g/mol:	478.128646
ΔH_f, kcal/mol:	-87.5
Dipole, Da:	3.56
IP(EA), eV:	-8.44(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3-hydroxypropyl)-5-(3-oxothiomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)NC2=NC=C(C(=N2)NC3COC4C3OCC4NS(=O)(=O)N5CCCCC5)Cl

DOS

IR

Vibrations