Geometry & MOs

Info

ID:	78818
PubChem CID:	49736282
Reduced:	SO2N6H18C22 (1)
Stoich.:	AB2C6D18E22 (1)
Weight, g/mol:	393.162332
ΔH_f, kcal/mol:	64.35
Dipole, Da:	4.93
IP(EA), eV:	-8.88(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-benzylpiperazin-1-yl)-2-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]ethanone

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)NC(=N2)CCC3=NN=C(O3)SCC(=O)NC4=CC5=C(C=C4)N=CC=C5

DOS

IR

Vibrations