Geometry & MOs

Info

ID:	374186
PubChem CID:	131325244
Reduced:	ClSH2N2F3O3C7 (1)
Stoich.:	ABC2D2E3F3G7 (1)
Weight, g/mol:	249.98048
ΔH_f, kcal/mol:	-210.15
Dipole, Da:	3.44
IP(EA), eV:	-11.76(-2.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-3-(difluoromethyl)-5-methoxy-2-methylbenzene

Drug info:

PubChemData

Smile

C1=C(C(=C(C=N1)S(=O)(=O)Cl)OC(F)(F)F)C#N

DOS

IR

Vibrations