Geometry & MOs

Info

ID:	227623
PubChem CID:	87562111
Reduced:	O2P2N3H31C41 (1)
Stoich.:	A2B2C3D31E41 (1)
Weight, g/mol:	280.079432
ΔH_f, kcal/mol:	115.64
Dipole, Da:	21.78
IP(EA), eV:	-6.18(-2.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-oxobutanoyl (2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanoate

Drug info:

PubChemData

Smile

CC(C1=CC=CC=N1)(C2=CC=CC(=N2)C3=CC=CC=C3[P+](=O)C4=CC=CC=C4)C5=CC=CC(=N5)C6=CC=CC=C6[P+](=O)C7=CC=CC=C7

DOS

IR

Vibrations