Geometry & MOs

Info

ID:

379247

PubChem CID:

134356905

Reduced:

ClN9O11C34H58 (1)

Stoich.:

AB9C11D34E58 (1)

Weight, g/mol:

310.210387

ΔHf, kcal/mol:

-482.22

Dipole, Da:

6.52

IP(EA), eV:

 -8.95(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R,4S)-5-[3-aminopropyl(3,5-dihydroxypentyl)amino]pentane-1,2,3,4-tetrol

Drug info:

PubChemData

Smile

CC(CC1=CC=C(C=C1)CCCCN=C(N)NC(=O)C2=C(N=C(C(=N2)Cl)N)N)NCCCN(C[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)C[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O

DOS

IR

Vibrations