Geometry & MOs

Info

ID:	173853
PubChem CID:	75691160
Reduced:	ClO3N4C20H25 (1)
Stoich.:	AB3C4D20E25 (1)
Weight, g/mol:	381.99868
ΔH_f, kcal/mol:	-123.83
Dipole, Da:	7.71
IP(EA), eV:	-8.95(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl] 4-methyl-1,3-thiazole-5-carboxylate

Drug info:

PubChemData

Smile

CCCN1C2C(CC(CN2)C(=O)N3CCCC4=C3C=CC(=C4)Cl)C(=O)NC1=O

DOS

IR

Vibrations