Geometry & MOs

Info

ID:	164592
PubChem CID:	74422310
Reduced:	ClSO4N6H21C24 (1)
Stoich.:	ABC4D6E21F24 (1)
Weight, g/mol:	435.193375
ΔH_f, kcal/mol:	5.71
Dipole, Da:	4.64
IP(EA), eV:	-9.19(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-fluoro-N-[8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-4-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

CC1=CC(=NC2=C1NC(=O)N2C3=C(C=CC(=C3)S(=O)(=O)N4CCCCC5=CC=CC=C54)Cl)C(=N)N=O

DOS

IR

Vibrations