Geometry & MOs

Info

ID:

215530

PubChem CID:

85084871

Reduced:

SO11N13C45H73 (1)

Stoich.:

AB11C13D45E73 (1)

Weight, g/mol:

1004.343155

ΔHf, kcal/mol:

-495.1

Dipole, Da:

9.46

IP(EA), eV:

 -8.02(-0.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-[[6-[[6-[[3,5-dihydroxy-6-methoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)O)NC(=O)C1CCCN1C(=O)C(CO)NC(=O)C(CC2=CC=CC=C2)NC(=O)CNC(=O)C3CCCN3C(=O)C(CS)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCCN)N

DOS

IR

Vibrations