Geometry & MOs

Info

ID:	83862
PubChem CID:	49862007
Reduced:	SN3O7C30H39 (1)
Stoich.:	AB3C7D30E39 (1)
Weight, g/mol:	542.079109
ΔH_f, kcal/mol:	-246.39
Dipole, Da:	6.78
IP(EA), eV:	-8.7(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[6-(2-chloropyridin-4-yl)benzimidazol-1-yl]-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=C(C(=C1)NS(=O)(=O)C)OC)NC(=O)C(C2=CC=C(C3=CC=CC=C32)OCCN4CCOCC4)O

DOS

IR

Vibrations