Geometry & MOs

Info

ID:	43580
PubChem CID:	10321493
Reduced:	O2N7C24H31 (1)
Stoich.:	A2B7C24D31 (1)
Weight, g/mol:	449.177313
ΔH_f, kcal/mol:	-17.93
Dipole, Da:	7.79
IP(EA), eV:	-9.4(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-(4-methylpiperazin-1-yl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CN1C(=O)C2(CCN(CC2)CC3=CC4=CN=C(N=C4N3CCC5CCCCC5)C#N)NC1=O

DOS

IR

Vibrations