Geometry & MOs

Info

ID:

178766

PubChem CID:

76378749

Reduced:

N7O9C39H45 (1)

Stoich.:

A7B9C39D45 (1)

Weight, g/mol:

412.16931

ΔHf, kcal/mol:

-176.51

Dipole, Da:

9.46

IP(EA), eV:

 -8.96(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-amino-N-[3,5-dihydroxy-6-(hydroxymethyl)-2-[2,3,4-trihydroxy-2,5-bis(hydroxymethyl)oxolan-3-yl]oxan-2-yl]propanamide

Drug info:

PubChemData

Smile

CCN1C2C(C(C(C1=O)C=CC(=C=CC3C(C4C(NN(C4=O)C5=CC=C(C=C5)COO)N(C3=O)CC)C)NC(=O)C)C)C(=O)N(N2)C6=CC=C(C=C6)C(=O)O

DOS

IR

Vibrations