Geometry & MOs

Info

ID:	86831
PubChem CID:	49889555
Reduced:	FNSO3H14C18 (1)
Stoich.:	ABCD3E14F18 (1)
Weight, g/mol:	431.083887
ΔH_f, kcal/mol:	-104.62
Dipole, Da:	4.8
IP(EA), eV:	-9.25(-1.14)
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]-2,6-dimethoxyphenyl] acetate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations