Geometry & MOs

Info

ID:

323583

PubChem CID:

126675519

Reduced:

N9C20H21 (1)

Stoich.:

A9B20C21 (1)

Weight, g/mol:

510.290094

ΔHf, kcal/mol:

182.77

Dipole, Da:

2.86

IP(EA), eV:

 -8.35(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,4R,6S)-5-amino-6-[(1R,3R,4R)-6-amino-2-[(2S,3S,5R)-5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]oxy-3-hydroxy-4-(propylamino)cyclohexyl]oxy-2-[(1R)-1-hydroxyethyl]oxane-3,4-diol

Drug info:

PubChemData

Smile

C1=CN(N=C1)CC2=CC=C(C=C2)CN3C=C(C=N3)CC4=CC(=NC5=C4NNN5)N

DOS

IR

Vibrations