Geometry & MOs

Info

ID:	87294
PubChem CID:	49893798
Reduced:	SN2F3O4H15C23 (1)
Stoich.:	AB2C3D4E15F23 (1)
Weight, g/mol:	522.065235
ΔH_f, kcal/mol:	-221.95
Dipole, Da:	1.18
IP(EA), eV:	-9.02(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(Z)-[3-(2-anilino-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-2-chlorophenyl] 4-methoxybenzoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NC(=O)CN2C(=O)/C(=C/C3=CC=C(O3)C4=CC=CC=C4C(F)(F)F)/SC2=O

DOS

IR

Vibrations