Geometry & MOs

Info

ID:

310225

PubChem CID:

126576993

Reduced:

SN2O3C26H36 (1)

Stoich.:

AB2C3D26E36 (1)

Weight, g/mol:

388.224974

ΔHf, kcal/mol:

-50.66

Dipole, Da:

5.8

IP(EA), eV:

 -8.73(-0.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6S,8S,9S,10S,11S,13S,14S,16R,17R)-11,17-dihydroxy-6,9,10,13,16-pentamethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carboxylic acid

Drug info:

PubChemData

Smile

CC1CC2C3CC(C(C3(CC(C2(C4(C1=CC(=O)C=C4)C)C)O)C)(C5=CSC(=N5)NC)O)C

DOS

IR

Vibrations