Geometry & MOs

Info

ID:	192184
PubChem CID:	78237404
Reduced:	BrCl2N2O2H17C23 (1)
Stoich.:	AB2C2D2E17F23 (1)
Weight, g/mol:	425.113331
ΔH_f, kcal/mol:	25.31
Dipole, Da:	3.81
IP(EA), eV:	-8.61(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[1-[1-(1,3-benzothiazol-2-yl)-5-oxo-3-(trifluoromethyl)-4H-pyrazol-4-yl]ethenyl]-3-methylbutanehydrazide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=CC3C4=C(C=CC(=C4)Br)OC(N3N2)C5=C(C=C(C=C5)Cl)Cl

DOS

IR

Vibrations