Geometry & MOs

Info

ID:	228248
PubChem CID:	87563741
Reduced:	FSO2N4H9C12 (1)
Stoich.:	ABC2D4E9F12 (1)
Weight, g/mol:	388.05865
ΔH_f, kcal/mol:	-17.05
Dipole, Da:	5.98
IP(EA), eV:	-8.78(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-(cyclopentylamino)-6-fluoro-3-phenylmethoxybenzonitrile

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)NC(=O)O)F)CN2C=CC(=N2)N=C=S

DOS

IR

Vibrations