Geometry & MOs

Info

ID:

300546

PubChem CID:

121360492

Reduced:

NO2C8H11 (2)

Stoich.:

AB2C8D11 (2)

Weight, g/mol:

517.413109

ΔHf, kcal/mol:

-66.48

Dipole, Da:

5.41

IP(EA), eV:

 -9.49(-1.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-[[(3S,10R,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]propyl-hydroxyamino]acetic acid

Drug info:

PubChemData

Smile

CC1(CCCC(N1OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])(C)C)C

DOS

IR

Vibrations