Geometry & MOs

Info

ID:	279324
PubChem CID:	103843069
Reduced:	BrN2F3H8C14 (1)
Stoich.:	AB2C3D8E14 (1)
Weight, g/mol:	331.97944
ΔH_f, kcal/mol:	-54.48
Dipole, Da:	4.17
IP(EA), eV:	-8.98(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2,5-difluoroaniline

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C#N)CNC2=CC(=C(C=C2F)Br)F)F

DOS

IR

Vibrations