Geometry & MOs

Info

ID:

222131

PubChem CID:

85294578

Reduced:

PS2N4O6C45H47 (1)

Stoich.:

AB2C4D6E45F47 (1)

Weight, g/mol:

599.301387

ΔHf, kcal/mol:

-125.87

Dipole, Da:

6.49

IP(EA), eV:

 -8.65(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-amino-N-[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]-5-hydroxypentanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)P(C2=CC=CC=C2)C3=CC=CC=C3)N4C(=NC5=CC=CC=C5C4=O)C)C.CC1(C2CCC1(C(=NNS(=O)(=O)C3=CC=CC=C3)C2)CS(=O)(=O)O)C

DOS

IR

Vibrations