Geometry & MOs

Info

ID:	87760
PubChem CID:	49897095
Reduced:	SN2F3O3H13C19 (1)
Stoich.:	AB2C3D3E13F19 (1)
Weight, g/mol:	502.119858
ΔH_f, kcal/mol:	-213.89
Dipole, Da:	3.06
IP(EA), eV:	-9.1(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NC(=O)CN2C(=O)/C(=C/C3=CC(=CC=C3)C(F)(F)F)/SC2=O

DOS

IR

Vibrations