Geometry & MOs

Info

ID:	290376
PubChem CID:	104437973
Reduced:	BrSN2O2C12H17 (1)
Stoich.:	ABC2D2E12F17 (1)
Weight, g/mol:	269.076454
ΔH_f, kcal/mol:	-53.43
Dipole, Da:	5.52
IP(EA), eV:	-9.46(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-cyano-2-fluoroanilino)methyl]-2-fluorobenzonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)S(=O)(=O)NCC2(CCC2)N)Br

DOS

IR

Vibrations