Geometry & MOs

Info

ID:	180123
PubChem CID:	76582590
Reduced:	SN2F3O7C27H27 (1)
Stoich.:	AB2C3D7E27F27 (1)
Weight, g/mol:	491.094904
ΔH_f, kcal/mol:	-332.33
Dipole, Da:	8.34
IP(EA), eV:	-8.86(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1C(F)(F)F)OC2=C(SC(=C2)NC3=C(C=CC(=C3)COC(=O)C(C)(C)C)[N+](=O)[O-])C(=O)OC

DOS

IR

Vibrations