Geometry & MOs

Info

ID:	86892
PubChem CID:	49889908
Reduced:	NSF2O5H17C25 (1)
Stoich.:	ABC2D5E17F25 (1)
Weight, g/mol:	437.040308
ΔH_f, kcal/mol:	-195.3
Dipole, Da:	6.15
IP(EA), eV:	-9.05(-1.15)
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]-2-methoxyphenyl] methanesulfonate

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)F)OC(=O)C4=CC=CC=C4F

DOS

IR

Vibrations