Geometry & MOs

Info

ID:	326687
PubChem CID:	126688004
Reduced:	ION2H11C20 (1)
Stoich.:	ABC2D11E20 (1)
Weight, g/mol:	274.063616
ΔH_f, kcal/mol:	111.16
Dipole, Da:	4.83
IP(EA), eV:	-9.21(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(2S)-4-cyano-3-oxo-4-phosphanylphosphanylidenebutan-2-yl]carbamate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=NC(=N2)I)C3=CC4=C(C=C3)C5=CC=CC=C5O4

DOS

IR

Vibrations