Geometry & MOs

Info

ID:

215659

PubChem CID:

85085042

Reduced:

SN16O16C46H76 (1)

Stoich.:

AB16C16D46E76 (1)

Weight, g/mol:

1140.592768

ΔHf, kcal/mol:

-708.15

Dipole, Da:

6.71

IP(EA), eV:

 -8.98(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-[8-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-1-hydroxy-4a,4b,7,10a-tetramethyl-7-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]spiro[3,4,5,6,6a,8,9,10,10b,11,12,12a-dodecahydro-1H-chrysene-2,5'-oxane]-2'-yl]propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(CC(=O)O)C(=O)NC(CO)C(=O)NC(CC(C)C)C(=O)NC(CCCN=C(N)N)C(=O)N)NC(=O)C(CC(=O)O)NC(=O)C(CNS(=O)(=O)C1=CC=CC=C1)NC(=O)C(CCCN=C(N)N)NC(=O)C

DOS

IR

Vibrations