Geometry & MOs

Info

ID:	127283
PubChem CID:	50996955
Reduced:	F2S2O3N5C20H21 (1)
Stoich.:	A2B2C3D5E20F21 (1)
Weight, g/mol:	432.193709
ΔH_f, kcal/mol:	-133.5
Dipole, Da:	6.85
IP(EA), eV:	-8.81(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-ethylpiperazin-1-yl)-N-[(4-fluorophenyl)methyl]-7-(trifluoromethyl)quinolin-5-amine

Drug info:

PubChemData

Smile

CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)NC(=O)C2=CSC3=C2N=CN=C3NC4CCC4)F

DOS

IR

Vibrations