Geometry & MOs

Info

ID:	71732
PubChem CID:	48415279
Reduced:	Cl2O2N3C20H23 (1)
Stoich.:	A2B2C3D20E23 (1)
Weight, g/mol:	386.141262
ΔH_f, kcal/mol:	-23.14
Dipole, Da:	6.6
IP(EA), eV:	-9.21(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[2-(4-but-3-ynylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)C2CCCN2C(=O)C3=CC(=CC(=C3)Cl)Cl

DOS

IR

Vibrations