Geometry & MOs

Info

ID:	62893
PubChem CID:	26737486
Reduced:	NO2C7H7 (2)
Stoich.:	AB2C7D7 (2)
Weight, g/mol:	484.157399
ΔH_f, kcal/mol:	-140.91
Dipole, Da:	6.22
IP(EA), eV:	-10.54(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-(3-chlorophenyl)-4-methyl-N'-[3-(4-phenylpiperazin-1-ium-1-yl)propanoyl]-1,3-thiazole-5-carbohydrazide

Drug info:

PubChemData

Smile

C1CC(=O)NC(=O)[C@@H]1N2C(=O)[C@@H]3[C@@H]4C[C@H]([C@@H]3C2=O)C=C4

DOS

IR

Vibrations