Geometry & MOs

Info

ID:	87784
PubChem CID:	49897338
Reduced:	SN2O7C19H22 (1)
Stoich.:	AB2C7D19E22 (1)
Weight, g/mol:	523.177707
ΔH_f, kcal/mol:	-231.51
Dipole, Da:	5.4
IP(EA), eV:	-8.51(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(Z)-[3-(2-morpholin-4-yl-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(2-propan-2-ylphenyl)acetamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1/C=C\2/C(=O)N(C(=O)S2)CC(=O)N3CCOCC3)OC)OC

DOS

IR

Vibrations