Geometry & MOs

Info

ID:	264715
PubChem CID:	103485185
Reduced:	BrNSO3C15H16 (1)
Stoich.:	ABCD3E15F16 (1)
Weight, g/mol:	311.079156
ΔH_f, kcal/mol:	-81.43
Dipole, Da:	3.48
IP(EA), eV:	-9.09(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[2-[3-(difluoromethyl)phenyl]-1,3-thiazol-4-yl]propanoate

Drug info:

PubChemData

Smile

CCOC(=O)CCC1=CSC(=N1)C2=C(C=CC(=C2)Br)OC

DOS

IR

Vibrations