Geometry & MOs

Info

ID:	86899
PubChem CID:	49889946
Reduced:	FNSO3H18C20 (1)
Stoich.:	ABCD3E18F20 (1)
Weight, g/mol:	467.039435
ΔH_f, kcal/mol:	-119.51
Dipole, Da:	5.63
IP(EA), eV:	-9.15(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)OC1=CC=CC=C1/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)F

DOS

IR

Vibrations