Geometry & MOs

Info

ID:	176726
PubChem CID:	76088867
Reduced:	O3N4C16H32 (1)
Stoich.:	A3B4C16D32 (1)
Weight, g/mol:	503.208116
ΔH_f, kcal/mol:	-148.2
Dipole, Da:	5.07
IP(EA), eV:	-9.68(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-fluoro-2-[2-oxo-4-propyl-3-[[4-[3-(tetrazolidin-5-yl)pyridin-2-yl]phenyl]methyl]imidazol-1-yl]benzoic acid

Drug info:

PubChemData

Smile

CC(C)CC(NC(C(C1=NN=C(O1)C(C)(C)C)(C(C)C)N)O)O

DOS

IR

Vibrations