Geometry & MOs

Info

ID:	281282
PubChem CID:	103913644
Reduced:	BrSO2C10H13 (1)
Stoich.:	ABC2D10E13 (1)
Weight, g/mol:	254.121927
ΔH_f, kcal/mol:	-49.25
Dipole, Da:	5.47
IP(EA), eV:	-8.37(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2,5-dimethylanilino)methyl]-2-fluorobenzonitrile

Drug info:

PubChemData

Smile

COC1=C(C(=CC=C1)Br)OCCSC

DOS

IR

Vibrations