Geometry & MOs

Info

ID:	78838
PubChem CID:	49737865
Reduced:	OSN5C21H23 (1)
Stoich.:	ABC5D21E23 (1)
Weight, g/mol:	423.172896
ΔH_f, kcal/mol:	42.79
Dipole, Da:	3.51
IP(EA), eV:	-8.31(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NC=C1)NC2=NC(=CS2)CC(=O)N3CCN(CC3)C4=CC=CC=C4

DOS

IR

Vibrations