Geometry & MOs

Info

ID:

215585

PubChem CID:

85084946

Reduced:

SN11O14C48H77 (1)

Stoich.:

AB11C14D48E77 (1)

Weight, g/mol:

1064.364285

ΔHf, kcal/mol:

-669.72

Dipole, Da:

15.77

IP(EA), eV:

 -9.11(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[[5-[3-[4,5-dihydroxy-6-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]-2-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-3-yl]oxy-2-hydroxypropoxy]-3,4-dihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NC(CCSC)C(=O)N1CCCC1C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)O)NC(=O)C(CCC(=O)N)NC(=O)C(CC(=O)O)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)CN

DOS

IR

Vibrations