Geometry & MOs

Info

ID:

215347

PubChem CID:

85084577

Reduced:

PSN4O14C37H39 (1)

Stoich.:

ABC4D14E37F39 (1)

Weight, g/mol:

824.492207

ΔHf, kcal/mol:

-580.95

Dipole, Da:

10.15

IP(EA), eV:

 -9.1(-1.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[6-[2-[[17-(5,6-dihydroxy-6-methylheptan-2-yl)-4,4,9,13,14-pentamethyl-11-oxo-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl] acetate

Drug info:

PubChemData

Smile

CC1CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)O)OC(=O)CCCCCNC(=S)NC3=CC(=C(C=C3)C4=C5C=CC(=O)C=C5OC6=C4C=CC(=C6)O)C(=O)O

DOS

IR

Vibrations