Geometry & MOs

Info

ID:	171033
PubChem CID:	75316000
Reduced:	FSN3O3H16C23 (1)
Stoich.:	ABC3D3E16F23 (1)
Weight, g/mol:	526.066857
ΔH_f, kcal/mol:	-31.2
Dipole, Da:	9.3
IP(EA), eV:	-8.88(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NN=C2C=CC(=O)C(=C2)C=C3C(=O)N(C(=O)S3)CC4=CC=C(C=C4)F

DOS

IR

Vibrations