Geometry & MOs

Info

ID:	86964
PubChem CID:	49890267
Reduced:	BrFNSO4H17C20 (1)
Stoich.:	ABCDE4F17G20 (1)
Weight, g/mol:	389.012471
ΔH_f, kcal/mol:	-143.53
Dipole, Da:	4.02
IP(EA), eV:	-8.76(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)F)Br)OC

DOS

IR

Vibrations