Geometry & MOs

Info

ID:	20366
PubChem CID:	583368
Reduced:	OSN3C21H23 (1)
Stoich.:	ABC3D21E23 (1)
Weight, g/mol:	365.156184
ΔH_f, kcal/mol:	25.24
Dipole, Da:	5.01
IP(EA), eV:	-8.6(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(4-methylphenyl)methyl]-2-(4-phenylpiperazin-1-yl)-1,3-thiazol-4-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CC2C(=O)N=C(S2)N3CCN(CC3)C4=CC=CC=C4

DOS

IR

Vibrations