Geometry & MOs

Info

ID:

11428

PubChem CID:

115398

Reduced:

NO7C29H45 (1)

Stoich.:

AB7C29D45 (1)

Weight, g/mol:

519.319603

ΔHf, kcal/mol:

-345.93

Dipole, Da:

4.86

IP(EA), eV:

 -9.62(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[3-(5-amino-3,4-dihydroxy-6-methyloxan-2-yl)oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one

Drug info:

PubChemData

Smile

CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CCC5C6=CC(=O)OC6)O)C)C)O)O)N

DOS

IR

Vibrations