Geometry & MOs

Info

ID:	149385
PubChem CID:	53789057
Reduced:	N4O6C23H28 (1)
Stoich.:	A4B6C23D28 (1)
Weight, g/mol:	196.013675
ΔH_f, kcal/mol:	-110.64
Dipole, Da:	5.43
IP(EA), eV:	-8.94(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4S,5R)-2,5-dihydroxy-2-oxo-1,3,2lambda5-dioxaphosphinan-4-yl]acetaldehyde

Drug info:

PubChemData

Smile

CCN(CC)CCOC(=O)C1C(C(=C(N=C1C)C#N)C(=O)OCC)C2=CC(=CC=C2)[N+](=O)[O-]

DOS

IR

Vibrations