Geometry & MOs

Info

ID:	87965
PubChem CID:	49899106
Reduced:	ClFNSO3H19C28 (1)
Stoich.:	ABCDE3F19G28 (1)
Weight, g/mol:	516.091056
ΔH_f, kcal/mol:	-68.49
Dipole, Da:	5.2
IP(EA), eV:	-8.88(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-5-[2,5-dimethyl-3-[(Z)-[3-(naphthalen-1-ylmethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]pyrrol-1-yl]benzoic acid

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)CN3C(=O)/C(=C/C4=CC=C(C=C4)OCC5=C(C=CC=C5Cl)F)/SC3=O

DOS

IR

Vibrations