Geometry & MOs

Info

ID:	87729
PubChem CID:	49896845
Reduced:	ISN2O6C21H25 (1)
Stoich.:	ABC2D6E21F25 (1)
Weight, g/mol:	516.0758
ΔH_f, kcal/mol:	-195.27
Dipole, Da:	6.81
IP(EA), eV:	-8.77(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-chloro-4-[(Z)-[3-(2-morpholin-4-yl-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenyl] 4-methoxybenzoate

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1I)/C=C\2/C(=O)N(C(=O)S2)CC(=O)N3CCOCC3)OCC

DOS

IR

Vibrations