Geometry & MOs

Info

ID:

296872

PubChem CID:

117598163

Reduced:

ClSN2O4C22H25 (2)

Stoich.:

ABC2D4E22F25 (2)

Weight, g/mol:

528.319937

ΔHf, kcal/mol:

-254.42

Dipole, Da:

5.51

IP(EA), eV:

 -8.45(-1.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10,11-dihydroxy-2,4a,6a,6a,9,14a-hexamethyl-3,4,5,6,8,13,14,14b-octahydro-1H-picene-2-carboxylic acid;hydroxyurea

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)SC.C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)COC4=CC=C(C=C4)Cl.C(=CC(=O)O)C(=O)O.Cl

DOS

IR

Vibrations