Geometry & MOs

Info

ID:	135774
PubChem CID:	51934511
Reduced:	Cl2N2O3C18H24 (1)
Stoich.:	A2B2C3D18E24 (1)
Weight, g/mol:	456.06713
ΔH_f, kcal/mol:	-141.92
Dipole, Da:	1.82
IP(EA), eV:	-8.83(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-(2-bromophenyl)-2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-ium-1-yl]acetamide

Drug info:

PubChemData

Smile

C[C@@H](C1=C(C=C(C=C1)Cl)Cl)N(C)CC(=O)N2CCC(CC2)C(=O)OC

DOS

IR

Vibrations