Geometry & MOs

Info

ID:	84950
PubChem CID:	49870892
Reduced:	ClF3O3N4C19H20 (1)
Stoich.:	AB3C3D4E19F20 (1)
Weight, g/mol:	565.243753
ΔH_f, kcal/mol:	-231.84
Dipole, Da:	4.59
IP(EA), eV:	-8.93(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R)-2-hydroxy-4-phenyl-3-[[5-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazole-3-carbonyl]amino]butanoic acid

Drug info:

PubChemData

Smile

CN1C(=O)C(=CC=N1)NCC(=O)N2CCC(CC2)OC3=C(C=CC(=C3)C(F)(F)F)Cl

DOS

IR

Vibrations