Geometry & MOs

Info

ID:	171036
PubChem CID:	75316862
Reduced:	FSN2O4H25C28 (1)
Stoich.:	ABC2D4E25F28 (1)
Weight, g/mol:	519.061043
ΔH_f, kcal/mol:	-133.76
Dipole, Da:	2.01
IP(EA), eV:	-8.93(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1=CC=CC=C1NC(=O)COC2=CC=C(C=C2)C=C3C(=O)N(C(=O)S3)CC4=CC=C(C=C4)F

DOS

IR

Vibrations