Geometry & MOs

Info

ID:	124417
PubChem CID:	50882634
Reduced:	ClN2O2C14H19 (1)
Stoich.:	AB2C2D14E19 (1)
Weight, g/mol:	519.04952
ΔH_f, kcal/mol:	-73.08
Dipole, Da:	3.26
IP(EA), eV:	-8.65(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-bromophenyl)-[4-[2-[(2E)-2-butan-2-ylidenehydrazinyl]-5-chloro-1,3-benzothiazol-4-yl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)Cl)OC)C(=O)N2CCN(CC2)C

DOS

IR

Vibrations