Geometry & MOs

Info

ID:	302674
PubChem CID:	124391959
Reduced:	ClFSO2N5H21C22 (1)
Stoich.:	ABCD2E5F21G22 (1)
Weight, g/mol:	498.069714
ΔH_f, kcal/mol:	-31.6
Dipole, Da:	2.81
IP(EA), eV:	-9.05(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[5-[(E)-[3-[2-(2,4-difluoroanilino)-2-oxoethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzoate

Drug info:

PubChemData

Smile

C[C@@H](C1=NN=C(N1CC=C)SCC(=O)NC2=CC=CC=C2Cl)NC(=O)C3=CC=CC=C3F

DOS

IR

Vibrations