Geometry & MOs

Info

ID:	129008
PubChem CID:	51066165
Reduced:	BrNO3H18C21 (1)
Stoich.:	ABC3D18E21 (1)
Weight, g/mol:	345.040583
ΔH_f, kcal/mol:	-60.59
Dipole, Da:	3.39
IP(EA), eV:	-9.13(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-N-(4-fluorophenyl)-3-phenyl-2-sulfanylidene-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

C1CC(C(=O)/C(=C/C2=CC=C(C=C2)Br)/C1)C3(C4=CC=CC=C4NC3=O)O

DOS

IR

Vibrations