Geometry & MOs

Info

ID:

215456

PubChem CID:

85084760

Reduced:

SO7N11C47H65 (1)

Stoich.:

AB7C11D47E65 (1)

Weight, g/mol:

928.503166

ΔHf, kcal/mol:

-279.25

Dipole, Da:

10.17

IP(EA), eV:

 -8.39(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[5-hydroxy-2-[[2-hydroxy-9-(hydroxymethyl)-4,9,13,20,20-pentamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracos-15-en-10-yl]oxy]-6-methyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

Drug info:

PubChemData

Smile

CC(=O)NC(CC1=CC=CC=C1)C(=O)NC2CCCNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C3C(CCN3C2=O)S)CC4CCCCC4)CC5=CNC6=CC=CC=C65)CCCN=C(N)N

DOS

IR

Vibrations