Geometry & MOs

Info

ID:	140370
PubChem CID:	52687665
Reduced:	ClSO3N4C10H17 (1)
Stoich.:	ABC3D4E10F17 (1)
Weight, g/mol:	377.133969
ΔH_f, kcal/mol:	-109.18
Dipole, Da:	3.29
IP(EA), eV:	-9.13(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(1S)-1-(2-cyano-3-fluoroanilino)ethyl]phenyl]-4-fluorobenzamide

Drug info:

PubChemData

Smile

CCN(CCCNC1=C(C(=O)NN=C1)Cl)S(=O)(=O)C

DOS

IR

Vibrations