Geometry & MOs

Info

ID:

49511

PubChem CID:

11533151

Reduced:

SO3N5C25H33 (1)

Stoich.:

AB3C5D25E33 (1)

Weight, g/mol:

483.371244

ΔHf, kcal/mol:

-36.52

Dipole, Da:

2.52

IP(EA), eV:

 -8.66(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3R,4R,6aR,6bS,8aR,11R,12S,14bS)-4-amino-4,6a,6b,8a,11,12,14b-heptamethyl-14-oxo-1,2,3,4a,5,6,7,8,9,10,11,12,12a,14a-tetradecahydropicen-3-yl] acetate

Drug info:

PubChemData

Smile

CC1CC1CN(C)C2=NC(=CC(=C2)C3=CN=C(O3)[C@@](C)(CC4=CC=CC=C4)N)N(C)S(=O)(=O)C

DOS

IR

Vibrations