Geometry & MOs

Info

ID:

186396

PubChem CID:

77426966

Reduced:

N8O9C38H54 (1)

Stoich.:

A8B9C38D54 (1)

Weight, g/mol:

625.401041

ΔHf, kcal/mol:

-359.03

Dipole, Da:

6.5

IP(EA), eV:

 -8.56(-0.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-amino-N'-[5-amino-4-[2-amino-6-(2,3-dihydroxypropylamino)-1-hydroxyhexoxy]-2-[3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxybutanimidamide

Drug info:

PubChemData

Smile

CCOC(=O)C1CCN(C(C1)CNC(=O)C(CCCN=C(N)N)NC(=O)CNC(=O)C)C(=O)OC2=CCC3C4CC5=C6C3(C2OC6=C(C=C5)OC)CCN4C

DOS

IR

Vibrations