Geometry & MOs

Info

ID:	302758
PubChem CID:	124394625
Reduced:	ISO2N3C15H22 (1)
Stoich.:	ABC2D3E15F22 (1)
Weight, g/mol:	437.033601
ΔH_f, kcal/mol:	-9.68
Dipole, Da:	5.93
IP(EA), eV:	-8.61(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[[(5E)-5-[(3-chloro-5-ethoxy-4-hydroxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]furan-2-carboxylate

Drug info:

PubChemData

Smile

CC[C@@H](C)OC1=C(C=C(C=C1I)/C=N\NC(=S)NCC)OC

DOS

IR

Vibrations