Geometry & MOs

Info

ID:	2068
PubChem CID:	5721
Reduced:	N4O7C12H20 (1)
Stoich.:	A4B7C12D20 (1)
Weight, g/mol:	332.133199
ΔH_f, kcal/mol:	-284.17
Dipole, Da:	5.96
IP(EA), eV:	-9.85(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-acetamido-4-(diaminomethylideneamino)-2-(1,2,3-trihydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxylic acid

Drug info:

PubChemData

Smile

CC(=O)NC1C(C=C(OC1C(C(CO)O)O)C(=O)O)N=C(N)N

DOS

IR

Vibrations