Geometry & MOs

Info

ID:	87353
PubChem CID:	49894256
Reduced:	ClSN3O6H24C28 (1)
Stoich.:	ABC3D6E24F28 (1)
Weight, g/mol:	502.192629
ΔH_f, kcal/mol:	-159.81
Dipole, Da:	5.4
IP(EA), eV:	-8.94(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5Z)-5-[[5-(1-adamantyl)-2-methoxyphenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-phenylacetamide

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC(=O)NC3=CC=CC=C3)OCC(=O)NC4=CC=C(C=C4)Cl

DOS

IR

Vibrations