Geometry & MOs

Info

ID:

5567

PubChem CID:

13341

Reduced:

NNaO6C26H42 (1)

Stoich.:

ABC6D26E42 (1)

Weight, g/mol:

487.290982

ΔHf, kcal/mol:

-372.15

Dipole, Da:

9.81

IP(EA), eV:

 -9.23(0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

sodium;2-[4-(3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoylamino]acetate

Drug info:

PubChemData

Smile

CC(CCC(=O)NCC(=O)[O-])C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C.[Na+]

DOS

IR

Vibrations