Geometry & MOs

Info

ID:	86900
PubChem CID:	49889951
Reduced:	ClFNSO4H15C24 (1)
Stoich.:	ABCDE4F15G24 (1)
Weight, g/mol:	501.000463
ΔH_f, kcal/mol:	-122.04
Dipole, Da:	5.59
IP(EA), eV:	-9.58(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations