Geometry & MOs

Info

ID:	54812
PubChem CID:	17389327
Reduced:	BrClSO2N3H19C23 (1)
Stoich.:	ABCD2E3F19G23 (1)
Weight, g/mol:	629.09839
ΔH_f, kcal/mol:	46.33
Dipole, Da:	5.49
IP(EA), eV:	-8.56(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[5-ethyl-2-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-yl]phenyl] benzoate;hydrobromide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=CO3)C4=NC(=CS4)C5=CC=C(C=C5)Cl.Br

DOS

IR

Vibrations