Geometry & MOs

Info

ID:

221811

PubChem CID:

85286167

Reduced:

FN6O6H31C33 (1)

Stoich.:

AB6C6D31E33 (1)

Weight, g/mol:

626.312286

ΔHf, kcal/mol:

-161.75

Dipole, Da:

2.62

IP(EA), eV:

 -9.27(-1.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-amino-N-[1-[[5-amino-2-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]amino]-1-oxopropan-2-yl]propanamide

Drug info:

PubChemData

Smile

CC(C)C(C(C1=NN=C(O1)C2=CC=CC=C2)O)NC(=O)CN3C(=NC=C(C3=O)NC(=O)OCC4=CC=CC=C4)C5=CC=C(C=C5)F

DOS

IR

Vibrations