Geometry & MOs

Info

ID:	217324
PubChem CID:	85087620
Reduced:	ION5C11H12 (1)
Stoich.:	ABC5D11E12 (1)
Weight, g/mol:	353.132196
ΔH_f, kcal/mol:	95.89
Dipole, Da:	4.36
IP(EA), eV:	-9.49(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-acetamido-3,4-dihydroxy-2-methoxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylate

Drug info:

PubChemData

Smile

CC1C(C(NN1)N=C(C2=CC=C(C=C2)I)[O-])[N+]#N

DOS

IR

Vibrations