Geometry & MOs

Info

ID:	165188
PubChem CID:	74513884
Reduced:	O4N5C25H35 (1)
Stoich.:	A4B5C25D35 (1)
Weight, g/mol:	459.00524
ΔH_f, kcal/mol:	-160.23
Dipole, Da:	5.76
IP(EA), eV:	-9.32(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]-N-(4-bromophenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CCCCCN1C2C(N=C1CCC(=O)NC3=CC=C(C=C3)C(=O)C)N(C(=O)NC2=O)CCCC

DOS

IR

Vibrations