Geometry & MOs

Info

ID:	60980
PubChem CID:	26703826
Reduced:	SN2O5C21H22 (1)
Stoich.:	AB2C5D21E22 (1)
Weight, g/mol:	361.135718
ΔH_f, kcal/mol:	-129.68
Dipole, Da:	5.7
IP(EA), eV:	-8.66(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-fluorobenzamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

DOS

IR

Vibrations