Geometry & MOs

Info

ID:	171169
PubChem CID:	75338660
Reduced:	NSO6C17H19 (1)
Stoich.:	ABC6D17E19 (1)
Weight, g/mol:	403.004799
ΔH_f, kcal/mol:	-225.66
Dipole, Da:	4.79
IP(EA), eV:	-8.69(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 2-[5-[(3,5-dichloro-4-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate

Drug info:

PubChemData

Smile

CCOC1=CC(=C(C=C1)O)C=C2C(=O)N(C(=O)S2)CC(=O)OC(C)C

DOS

IR

Vibrations