Geometry & MOs

Info

ID:	84955
PubChem CID:	49870910
Reduced:	OSN8C29H30 (1)
Stoich.:	ABC8D29E30 (1)
Weight, g/mol:	583.234331
ΔH_f, kcal/mol:	139.79
Dipole, Da:	6.81
IP(EA), eV:	-8.79(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[1-[[2-fluoro-4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5-propylpyrazole-3-carbonyl]amino]-2-hydroxy-4-phenylbutanoic acid

Drug info:

PubChemData

Smile

CCCC1=CC(=NN1CC2=CN=C(C=C2)C3=CC=CC=C3C4=NNN=N4)C(=O)NC(CC5=CC=CC=C5)CS

DOS

IR

Vibrations