Geometry & MOs

Info

ID:

221834

PubChem CID:

85286191

Reduced:

NO18C24H39 (1)

Stoich.:

AB18C24D39 (1)

Weight, g/mol:

629.246574

ΔHf, kcal/mol:

-811.74

Dipole, Da:

15.04

IP(EA), eV:

 -10.12(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 3-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamothioyl-[[3,4,5-trihydroxy-6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]oxan-2-yl]methyl]amino]propanoate

Drug info:

PubChemData

Smile

CCC(C)OC1C(C(C(C(O1)C(=O)O)OC2C(C(C(C(O2)CO)OC3C(C(C(C(O3)C(=O)O)O)O)O)O)NC(=O)C)O)O

DOS

IR

Vibrations