Geometry & MOs

Info

ID:	171147
PubChem CID:	75335935
Reduced:	ClFNSO4H21C22 (1)
Stoich.:	ABCDE4F21G22 (1)
Weight, g/mol:	398.130028
ΔH_f, kcal/mol:	-160.1
Dipole, Da:	2.51
IP(EA), eV:	-8.69(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[5-[[1-(3,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate

Drug info:

PubChemData

Smile

CC(C)COC1=C(C=C(C=C1)C=C2C(=O)N(C(=O)S2)CC3=C(C=CC=C3Cl)F)OC

DOS

IR

Vibrations