Geometry & MOs

Info

ID:	184509
PubChem CID:	77170990
Reduced:	ClNF3O5H19C26 (1)
Stoich.:	ABC3D5E19F26 (1)
Weight, g/mol:	505.201299
ΔH_f, kcal/mol:	-293.14
Dipole, Da:	5.31
IP(EA), eV:	-9.28(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]-propan-2-ylamino]-2-oxoacetic acid

Drug info:

PubChemData

Smile

CC1=C(C2=C(N1C3=CC(=CC=C3)OC(C)C(=O)O)C=C(C=C2)OC(F)(F)F)C(=O)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations