Geometry & MOs

Info

ID:	160211
PubChem CID:	57309557
Reduced:	FO3C15H15 (1)
Stoich.:	AB3C15D15 (1)
Weight, g/mol:	534.089736
ΔH_f, kcal/mol:	-134.74
Dipole, Da:	0.44
IP(EA), eV:	-8.4(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-2-(1,1,2,2,2-pentafluoroethyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]thieno[3,4-d]imidazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)F)C2=C(C=CC(=C2)OC)OC)O

DOS

IR

Vibrations