Geometry & MOs

Info

ID:	182182
PubChem CID:	76856385
Reduced:	ClSO2N4H17C18 (1)
Stoich.:	ABC2D4E17F18 (1)
Weight, g/mol:	428.134068
ΔH_f, kcal/mol:	-1.28
Dipole, Da:	9.13
IP(EA), eV:	-8.24(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-N-[1-[2-(3-methyl-1,3-benzothiazol-2-ylidene)hydrazinyl]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide

Drug info:

PubChemData

Smile

CC(C(=O)NN=C1N(C2=CC=CC=C2S1)C)NC(=O)C3=CC=CC=C3Cl

DOS

IR

Vibrations