Geometry & MOs

Info

ID:

215466

PubChem CID:

85084777

Reduced:

SN10O16C37H60 (1)

Stoich.:

AB10C16D37E60 (1)

Weight, g/mol:

932.461695

ΔHf, kcal/mol:

-709.25

Dipole, Da:

8.26

IP(EA), eV:

 -9.49(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

16-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-hydroxy-7,9,13-trimethyl-6-[3-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]but-3-enyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-10-one

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC(CC(=O)N)C(CC(=O)OCC1=C(N2C(C(C2=O)(NC(=O)CCCC(C(=O)O)N)OC)SC1)C(=O)O)O)NC(=O)C(CCCNC(=O)C(CO)NC(=O)C(C)N)N

DOS

IR

Vibrations