Geometry & MOs

Info

ID:	86920
PubChem CID:	49889997
Reduced:	FNSCl2O5H16C25 (1)
Stoich.:	ABCD2E5F16G25 (1)
Weight, g/mol:	523.048564
ΔH_f, kcal/mol:	-167.74
Dipole, Da:	4.85
IP(EA), eV:	-9.43(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(Z)-[3-[(4-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenyl] 3,5-dinitrobenzoate

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)F)Cl)OC(=O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations