Geometry & MOs

Info

ID:	86953
PubChem CID:	49890223
Reduced:	ClFN2S2O6H18C25 (1)
Stoich.:	ABC2D2E6F18G25 (1)
Weight, g/mol:	501.000463
ΔH_f, kcal/mol:	-217.19
Dipole, Da:	10.79
IP(EA), eV:	-9.11(-1.23)
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] 2,4-dichlorobenzoate

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=C(C=C4)F)Cl

DOS

IR

Vibrations