Geometry & MOs

Info

ID:

382058

PubChem CID:

134972973

Reduced:

N2O13C25H38 (1)

Stoich.:

A2B13C25D38 (1)

Weight, g/mol:

878.293225

ΔHf, kcal/mol:

-612.53

Dipole, Da:

8.16

IP(EA), eV:

 -9.6(-0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2R,5S)-4-[[(2R,5S)-4-[[(2R,5S)-4-[[(2R,5S)-4-amino-6-(aminomethyl)-3,5-dihydroxyoxan-2-yl]carbamothioylamino]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamothioylamino]-6-(aminomethyl)-3,5-dihydroxyoxan-2-yl]carbamothioylamino]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]acetamide

Drug info:

PubChemData

Smile

CCOC(=O)C(=CN[C@H]1C(C([C@@H](C(O1)COC(=O)C)OC(=O)C)NC(=O)OC(C)(C)C)OC(=O)C)C(=O)OCC

DOS

IR

Vibrations