Geometry & MOs

Info

ID:

179303

PubChem CID:

76463566

Reduced:

NO8C32H51 (1)

Stoich.:

AB8C32D51 (1)

Weight, g/mol:

589.361468

ΔHf, kcal/mol:

-375.33

Dipole, Da:

8.82

IP(EA), eV:

 -9.34(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C)ON(C1CCC2(C(C1)CCC3C2CCC4(C3(CC(C4)C5=CC(=O)OC5)O)C)C)C6C(C(C(CO6)O)O)O

DOS

IR

Vibrations