Geometry & MOs

Info

ID:	171133
PubChem CID:	75332080
Reduced:	FNSCl2O4H18C25 (1)
Stoich.:	ABCD2E4F18G25 (1)
Weight, g/mol:	557.009591
ΔH_f, kcal/mol:	-132.43
Dipole, Da:	1.77
IP(EA), eV:	-8.74(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[[3-[(2-chloro-6-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=C2C(=O)N(C(=O)S2)CC3=C(C=C(C=C3)F)Cl)OCC4=CC=CC=C4Cl

DOS

IR

Vibrations