Geometry & MOs

Info

ID:	196891
PubChem CID:	78891277
Reduced:	BrClON4H14C17 (1)
Stoich.:	ABCD4E14F17 (1)
Weight, g/mol:	403.055754
ΔH_f, kcal/mol:	45.88
Dipole, Da:	8.41
IP(EA), eV:	-8.89(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-chloro-5-(propanoylamino)phenyl]-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Br)NC(=O)C2=NN(C(=N2)C)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations