Geometry & MOs

Info

ID:

445209

PubChem CID:

135264940

Reduced:

ON2H24C32 (1)

Stoich.:

AB2C24D32 (1)

Weight, g/mol:

597.329516

ΔHf, kcal/mol:

133.37

Dipole, Da:

0.41

IP(EA), eV:

 -8.42(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[2-[3-amino-6-[2-[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]propan-2-yloxymethyl]-4,5-dihydroxyoxan-2-yl]propan-2-yloxy]propyl]-4-methylsulfanylbutanamide

Drug info:

PubChemData

Smile

C/C(=C\C=C/C=C)/C1=CC(=CC(=N1)C2=CC=CC=C2)N3C4=C(C5=CC=CC=C53)C6=C(C=C4)C=CO6

DOS

IR

Vibrations