Geometry & MOs

Info

ID:	61004
PubChem CID:	26704134
Reduced:	SN2O4C23H24 (1)
Stoich.:	AB2C4D23E24 (1)
Weight, g/mol:	374.029205
ΔH_f, kcal/mol:	-74.2
Dipole, Da:	5.8
IP(EA), eV:	-8.54(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-4-chloro-2-fluorobenzamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)[C@H]2CCCN2C(=O)C3=CSC(=N3)C4=CC(=C(C=C4)OC)OC

DOS

IR

Vibrations