Geometry & MOs

Info

ID:	309879
PubChem CID:	126563924
Reduced:	N2O7C19H20 (1)
Stoich.:	A2B7C19D20 (1)
Weight, g/mol:	399.131802
ΔH_f, kcal/mol:	-233.74
Dipole, Da:	2.2
IP(EA), eV:	-8.61(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S,4R,5S)-3,4,5,6-tetrahydroxy-2-[(2-oxo-3-phenylchromen-7-yl)amino]hexanal

Drug info:

PubChemData

Smile

C1=COC(=C1)C2=CC3=C(C=C(C=C3)N[C@@H](C=O)[C@H]([C@@H]([C@@H](CO)O)O)O)NC2=O

DOS

IR

Vibrations