Geometry & MOs

Info

ID:

1875

PubChem CID:

5247

Reduced:

NSO7C26H45 (1)

Stoich.:

ABC7D26E45 (1)

Weight, g/mol:

515.291674

ΔHf, kcal/mol:

-382.48

Dipole, Da:

10.41

IP(EA), eV:

 -9.94(0.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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]ethanesulfonic acid

Drug info:

PubChemData

Smile

CC(CCC(=O)NCCS(=O)(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C

DOS

IR

Vibrations