Geometry & MOs

Info

ID:	86635
PubChem CID:	49887917
Reduced:	ClFNSO3H17C24 (1)
Stoich.:	ABCDE3F17G24 (1)
Weight, g/mol:	500.036434
ΔH_f, kcal/mol:	-86.92
Dipole, Da:	3.44
IP(EA), eV:	-9.11(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-5-[3-[(Z)-[3-[(4-chlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-2,5-dimethylpyrrol-1-yl]benzoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CN2C(=O)/C(=C/C3=CC=C(C=C3)OCC4=CC=C(C=C4)F)/SC2=O)Cl

DOS

IR

Vibrations