Geometry & MOs

Info

ID:	13962
PubChem CID:	400960
Reduced:	SCl2N4H16C24 (1)
Stoich.:	AB2C4D16E24 (1)
Weight, g/mol:	462.047273
ΔH_f, kcal/mol:	152.23
Dipole, Da:	3.37
IP(EA), eV:	-8.66(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzothiazol-2-yl)-2-(3-chlorophenyl)-4-[(4-chlorophenyl)methylidene]-5-methylpyrazol-3-imine

Drug info:

PubChemData

Smile

CC1=NN(C(=NC2=NC3=CC=CC=C3S2)C1=CC4=CC=C(C=C4)Cl)C5=CC(=CC=C5)Cl

DOS

IR

Vibrations