Geometry & MOs

Info

ID:	78831
PubChem CID:	49737794
Reduced:	OSN5C23H27 (1)
Stoich.:	ABC5D23E27 (1)
Weight, g/mol:	462.144965
ΔH_f, kcal/mol:	26.82
Dipole, Da:	4.25
IP(EA), eV:	-8.65(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=O)CC3=CSC(=N3)NC4=CC=CC(=N4)C

DOS

IR

Vibrations