Geometry & MOs

Info

ID:	315026
PubChem CID:	126624221
Reduced:	SN3O7C27H31 (1)
Stoich.:	AB3C7D27E31 (1)
Weight, g/mol:	313.106256
ΔH_f, kcal/mol:	-180.68
Dipole, Da:	7.1
IP(EA), eV:	-8.37(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(5-methylfuran-2-yl)ethylamino]-4-[(2-oxo-1H-pyridin-3-yl)amino]cyclobut-3-ene-1,2-dione

Drug info:

PubChemData

Smile

C/C=C(/CCCS)\[C@H](C1=CC=C(O1)C)NC2=C(C(=O)C2=O)NC3=CC=CC(=C3O)C(=O)N(C)CC(=O)OC

DOS

IR

Vibrations