Geometry & MOs

Info

ID:	182187
PubChem CID:	76856390
Reduced:	ClN4O4C21H23 (1)
Stoich.:	AB4C4D21E23 (1)
Weight, g/mol:	435.172896
ΔH_f, kcal/mol:	-43.31
Dipole, Da:	2.78
IP(EA), eV:	-9.26(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[3-(1,3-benzothiazol-2-yl)prop-2-enoyl]-3-(4-phenylpiperazin-1-yl)propanehydrazide

Drug info:

PubChemData

Smile

CCCN(CC1=NC(=O)C2C=CC(=CC2=N1)Cl)C(=O)C3=C(C(=C(N3)C)C(=O)OC)C

DOS

IR

Vibrations