Geometry & MOs

Info

ID:	279325
PubChem CID:	103843071
Reduced:	BrSF2N2H11C12 (1)
Stoich.:	ABC2D2E11F12 (1)
Weight, g/mol:	315.01827
ΔH_f, kcal/mol:	-43.4
Dipole, Da:	4.43
IP(EA), eV:	-8.79(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-[(1-ethylimidazol-2-yl)methyl]-2,5-difluoroaniline

Drug info:

PubChemData

Smile

CCC1=NC(=CS1)CNC2=CC(=C(C=C2F)Br)F

DOS

IR

Vibrations