Geometry & MOs

Info

ID:

436609

PubChem CID:

135206048

Reduced:

ClF3O5N6H20C25 (1)

Stoich.:

AB3C5D6E20F25 (1)

Weight, g/mol:

469.11139

ΔHf, kcal/mol:

-233.03

Dipole, Da:

8.11

IP(EA), eV:

 -9.06(-1.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,4aS,9Z,10aR)-8-iodo-9-methoxyimino-1,4a-dimethyl-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylic acid

Drug info:

PubChemData

Smile

CCC(C(=O)NC1=CN=C(C=C1)C(=O)N)N2C=C(C(=CC2=O)C3=C(C=CC(=C3)Cl)C4=NN=C(O4)C(F)(F)F)OC

DOS

IR

Vibrations