Geometry & MOs

Info

ID:	180124
PubChem CID:	76582591
Reduced:	O2S2F3N3H20C23 (1)
Stoich.:	A2B2C3D3E20F23 (1)
Weight, g/mol:	524.00171
ΔH_f, kcal/mol:	-148.49
Dipole, Da:	6.09
IP(EA), eV:	-8.76(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-(6-bromobenzimidazol-1-yl)-3-[1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxylate

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1C(F)(F)F)OC2=C(SC(=C2)N3C=NC4=C3C=C(C=C4)CSC)C(=O)N

DOS

IR

Vibrations