Geometry & MOs

Info

ID:

387074

PubChem CID:

134983857

Reduced:

SO3H22C27 (1)

Stoich.:

AB3C22D27 (1)

Weight, g/mol:

506.371973

ΔHf, kcal/mol:

-15.16

Dipole, Da:

4.96

IP(EA), eV:

 -8.88(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3S,5R,6R,8S,9S,10R,13R,14S,17R)-5-hydroxy-10,13-dimethyl-17-(6-methylheptan-2-yl)-6-nitramido-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)OC(=C(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations