Geometry & MOs

Info

ID:	81131
PubChem CID:	49854384
Reduced:	SO4N5H27C28 (1)
Stoich.:	AB4C5D27E28 (1)
Weight, g/mol:	633.088294
ΔH_f, kcal/mol:	-64.92
Dipole, Da:	7.26
IP(EA), eV:	-8.52(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-chloro-5-(trifluoromethyl)phenyl]-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carbothioamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=CC5=C4N=CC=C5

DOS

IR

Vibrations