Geometry & MOs

Info

ID:	7418
PubChem CID:	72496
Reduced:	N3O6C12H13 (1)
Stoich.:	A3B6C12D13 (1)
Weight, g/mol:	295.080435
ΔH_f, kcal/mol:	-183.37
Dipole, Da:	3.86
IP(EA), eV:	-10.3(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(2S)-2-[(2R,3R,4S)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxyethylidene]amino]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

C1=CN=CC=C1C(=O)NN=C[C@@H]([C@@H]2[C@@H]([C@@H](C(=O)O2)O)O)O

DOS

IR

Vibrations