Geometry & MOs

Info

ID:	86902
PubChem CID:	49889954
Reduced:	ClFNSO4H15C24 (1)
Stoich.:	ABCDE4F15G24 (1)
Weight, g/mol:	497.05
ΔH_f, kcal/mol:	-123.03
Dipole, Da:	3.73
IP(EA), eV:	-9.56(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(Z)-[3-[(4-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-6-methoxyphenyl] 2-chlorobenzoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations