Geometry & MOs

Info

ID:	125889
PubChem CID:	50942152
Reduced:	ClSO2N6C22H27 (1)
Stoich.:	ABC2D6E22F27 (1)
Weight, g/mol:	507.992997
ΔH_f, kcal/mol:	-20.5
Dipole, Da:	2.18
IP(EA), eV:	-8.7(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-5-[5-[(Z)-[4-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-ylidene]methyl]-1H-pyrrol-2-yl]benzoic acid

Drug info:

PubChemData

Smile

CCCCCC1=NC2=C(N=C(N=C2S1)N)N3CCN(CC3)C(=O)COC4=CC=C(C=C4)Cl

DOS

IR

Vibrations