Geometry & MOs

Info

ID:	31491
PubChem CID:	855784
Reduced:	OSN5C16H19 (1)
Stoich.:	ABC5D16E19 (1)
Weight, g/mol:	318.029683
ΔH_f, kcal/mol:	44.44
Dipole, Da:	3.39
IP(EA), eV:	-9.27(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-methylthiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CSC(=N1)NC(=O)CCN2C3=CC=CC=C3N=N2

DOS

IR

Vibrations