Geometry & MOs

Info

ID:	396805
PubChem CID:	135029246
Reduced:	O3C17H26 (1)
Stoich.:	A3B17C26 (1)
Weight, g/mol:	338.073984
ΔH_f, kcal/mol:	-130.75
Dipole, Da:	4.73
IP(EA), eV:	-9.98(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3S,4S,5E)-5-[(4,6-diamino-1,3,5-triazin-2-yl)imino]-2,3,4-trihydroxypentyl] dihydrogen phosphate

Drug info:

PubChemData

Smile

CC(CCC=O)[C@@]1([C@H](CCC1=O)CC/C=C(\C)/C=O)C

DOS

IR

Vibrations