Geometry & MOs

Info

ID:

215377

PubChem CID:

85084641

Reduced:

NO5C24H47 (2)

Stoich.:

AB5C24D47 (2)

Weight, g/mol:

860.476951

ΔHf, kcal/mol:

-643.25

Dipole, Da:

6.38

IP(EA), eV:

 -10.23(0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[14-hydroxy-3-[3-hydroxy-4-methoxy-6-methyl-5-[[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methoxymethyl]oxan-2-yl]methoxymethyl]oxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCCCC(C(=O)NC(COC1C(C(C(C(O1)CO)O)O)NC(=O)C)C(C(CCCCCCCCCCCC(C)C)O)O)O

DOS

IR

Vibrations