Geometry & MOs

Info

ID:	189072
PubChem CID:	77812077
Reduced:	NO2H17C18 (2)
Stoich.:	AB2C17D18 (2)
Weight, g/mol:	438.195486
ΔH_f, kcal/mol:	-42.11
Dipole, Da:	2.58
IP(EA), eV:	-8.92(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[4-(4-fluorophenyl)-5-phenyl-2-propan-2-ylpyrazol-3-yl]-2,2-dihydroxyhept-6-enoic acid

Drug info:

PubChemData

Smile

C1CNCC(C2=CC=CC=C21)(C3=CC=CC=C3)OC(=O)C=CC(=O)OC4(CNCCC5=CC=CC=C54)C6=CC=CC=C6

DOS

IR

Vibrations