Geometry & MOs

Info

ID:	57319
PubChem CID:	22395653
Reduced:	N3O4C12H15 (1)
Stoich.:	A3B4C12D15 (1)
Weight, g/mol:	290.040284
ΔH_f, kcal/mol:	-107.39
Dipole, Da:	4.58
IP(EA), eV:	-9.38(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

phosphono 2,3,4,5,6-pentahydroxy-4-methylhexanoate

Drug info:

PubChemData

Smile

CC#CC1(CC(C(O1)CO)O)N2C=CC(=NC2=O)N

DOS

IR

Vibrations