Geometry & MOs

Info

ID:	276079
PubChem CID:	103820417
Reduced:	FON4H9C13 (1)
Stoich.:	ABC4D9E13 (1)
Weight, g/mol:	275.052861
ΔH_f, kcal/mol:	12.14
Dipole, Da:	7.94
IP(EA), eV:	-9.46(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-cyano-2-fluorophenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CN=C(C=N1)C(=O)NC2=C(C=C(C=C2)C#N)F

DOS

IR

Vibrations