Geometry & MOs

Info

ID:	78830
PubChem CID:	49737773
Reduced:	OSN4C18H24 (1)
Stoich.:	ABC4D18E24 (1)
Weight, g/mol:	421.193632
ΔH_f, kcal/mol:	-13.13
Dipole, Da:	3.69
IP(EA), eV:	-8.64(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-[2-[(6-methylpyridin-2-yl)amino]-1,3-thiazol-4-yl]ethanone

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)NC2=NC(=CS2)CC(=O)NCC3CCCCC3

DOS

IR

Vibrations