Geometry & MOs

Info

ID:

187631

PubChem CID:

77600906

Reduced:

FSN4O5H27C29 (1)

Stoich.:

ABC4D5E27F29 (1)

Weight, g/mol:

438.144531

ΔHf, kcal/mol:

-131.12

Dipole, Da:

7.43

IP(EA), eV:

 -9.18(-1.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

chloromethyl 17-carboxyoxy-11-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-17-carboxylate

Drug info:

PubChemData

Smile

CC(C)N1CC(N2C=C(C(=O)C(=C2C1=O)OCC3=CC=CC=C3)C4=NN=C(S4)CC5=CC=C(C=C5)F)(C)C(=O)O

DOS

IR

Vibrations