Geometry & MOs

Info

ID:	78837
PubChem CID:	49737864
Reduced:	SO2N4C15H18 (1)
Stoich.:	AB2C4D15E18 (1)
Weight, g/mol:	393.162332
ΔH_f, kcal/mol:	-29.67
Dipole, Da:	3.66
IP(EA), eV:	-8.9(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NC=C1)NC2=NC(=CS2)CC(=O)N3CCOCC3

DOS

IR

Vibrations