Geometry & MOs

Info

ID:

323488

PubChem CID:

126675000

Reduced:

O3N8C35H44 (1)

Stoich.:

A3B8C35D44 (1)

Weight, g/mol:

510.290094

ΔHf, kcal/mol:

-11.66

Dipole, Da:

3.61

IP(EA), eV:

 -8.46(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,6S)-5-amino-6-[(1R,3R,4R)-6-amino-2-[(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

CN1C[C@@H](C(C1)OCC2=CC=C(C=C2)C3=CC=C(C=C3)CN4CCN(CC4)CCO)NC(=O)C5=C(N=CC(=C5)C6=CN(N=C6)C)N

DOS

IR

Vibrations