Geometry & MOs

Info

ID:

184724

PubChem CID:

77198810

Reduced:

SF3O4N7C25H28 (1)

Stoich.:

AB3C4D7E25F28 (1)

Weight, g/mol:

446.33961

ΔHf, kcal/mol:

-194.23

Dipole, Da:

3.77

IP(EA), eV:

 -8.43(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

17-(5,6-dimethylheptan-2-yl)-1,2,3-trihydroxy-10,13-dimethyl-1,4,5,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-6-one

Drug info:

PubChemData

Smile

CC(C)C(COC(=O)C(F)(F)F)NC1=NC(=NC2=C1S(=O)CC2)N3CCC(CC3)C4=NC(=NO4)C5=CC=NC=C5

DOS

IR

Vibrations