Geometry & MOs

Info

ID:

296783

PubChem CID:

117592575

Reduced:

SN3O3C20H21 (1)

Stoich.:

AB3C3D20E21 (1)

Weight, g/mol:

630.282883

ΔHf, kcal/mol:

-23.57

Dipole, Da:

6.13

IP(EA), eV:

 -8.76(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl) acetate;1,4,5,8-tetrahydroxy-2,6-dimethylanthracene-9,10-dione

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N(C)C(=S)OC2=CC3=CC=CC=C3C=C2.C(=O)(N)NO

DOS

IR

Vibrations