Geometry & MOs

Info

ID:

80304

PubChem CID:

49833911

Reduced:

SN2O2C10H10 (2)

Stoich.:

AB2C2D10E10 (2)

Weight, g/mol:

679.37522

ΔHf, kcal/mol:

-45.38

Dipole, Da:

4.92

IP(EA), eV:

 -8.86(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-amino-N-[(1R,2S,3S,4R,5S)-5-amino-4-[(2R,3R,4R,5S,6R)-3-[(3-aminocyclobutyl)methylamino]-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-2-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]-1-hydroxycyclobutane-1-carboxamide

Drug info:

PubChemData

Smile

CS(=O)(=O)NC1CCN(C1)CC2=CC3=C(O2)C=C(C=C3)OC4=NC5=C(S4)C=CC=N5

DOS

IR

Vibrations