Geometry & MOs

Info

ID:	88360
PubChem CID:	49903049
Reduced:	NSCl3O4H14C24 (1)
Stoich.:	ABC3D4E14F24 (1)
Weight, g/mol:	493.075072
ΔH_f, kcal/mol:	-92.24
Dipole, Da:	5.55
IP(EA), eV:	-9.57(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(Z)-[3-[(3-chlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-6-methoxyphenyl] 4-methylbenzoate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)OC2=C(C=C(C=C2)Cl)/C=C\3/C(=O)N(C(=O)S3)CC4=CC(=CC=C4)Cl)Cl

DOS

IR

Vibrations