Geometry & MOs

Info

ID:	161947
PubChem CID:	57393144
Reduced:	N2O5H32C33 (1)
Stoich.:	A2B5C32D33 (1)
Weight, g/mol:	357.07474
ΔH_f, kcal/mol:	-134.32
Dipole, Da:	5.81
IP(EA), eV:	-8.82(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3,5-bis(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C[C@@H](COC(=O)[C@H](CC2=CC=CC=C2)NC(=O)CC3=CC=C(C=C3)O)NC(=O)C4=CC=CC=C4

DOS

IR

Vibrations