Geometry & MOs

Info

ID:	41125
PubChem CID:	8145297
Reduced:	N2O4C17H18 (1)
Stoich.:	A2B4C17D18 (1)
Weight, g/mol:	414.124943
ΔH_f, kcal/mol:	-94.8
Dipole, Da:	5.15
IP(EA), eV:	-9.18(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl 4-[[(5E)-5-[(5-methylfuran-2-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]methylamino]benzoate

Drug info:

PubChemData

Smile

CCOC(=O)[C@H]([C@H](C1=CC=C(C=C1)OC)C(C#N)C#N)C(=O)C

DOS

IR

Vibrations