Geometry & MOs

Info

ID:	56484
PubChem CID:	17435878
Reduced:	BrN2S2O3C19H19 (1)
Stoich.:	AB2C2D3E19F19 (1)
Weight, g/mol:	342.069908
ΔH_f, kcal/mol:	-44.87
Dipole, Da:	7.63
IP(EA), eV:	-8.49(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(3-cyano-1,2,4-triazol-4-yl)methyl]-1,3-thiazol-2-yl]-N-(2-fluorophenyl)acetamide

Drug info:

PubChemData

Smile

CCN(C1=CC=C(C=C1)C2=CSC(=N2)C3=C(C=CC(=C3)Br)OC)S(=O)(=O)C

DOS

IR

Vibrations