Geometry & MOs

Info

ID:	324684
PubChem CID:	126678132
Reduced:	ON5H39C57 (1)
Stoich.:	AB5C39D57 (1)
Weight, g/mol:	165.981981
ΔH_f, kcal/mol:	245.13
Dipole, Da:	3.62
IP(EA), eV:	-8.0(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

phosphinino[3,4-c]furan-1,3-dione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2NC(N=C(N2)C3=CC=CC(=C3)C4=CC5=C(C6=C(N5C7=CC=CC=C7)C8=C(C=C6)N(C9=CC=CC=C98)C1=CC=CC=C1)C1=C4C2=CC=CC=C2O1)C1=CC=CC=C1

DOS

IR

Vibrations