Geometry & MOs

Info

ID:	436422
PubChem CID:	135201329
Reduced:	BrClNOSH5C8 (1)
Stoich.:	ABCDEF5G8 (1)
Weight, g/mol:	189.015683
ΔH_f, kcal/mol:	2.66
Dipole, Da:	5.09
IP(EA), eV:	-9.05(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-6-ethenyl-2,4-difluoroaniline

Drug info:

PubChemData

Smile

C1=CC2=C(C(=C1)Br)NC=C2S(=O)Cl

DOS

IR

Vibrations