Geometry & MOs

Info

ID:

227956

PubChem CID:

87563124

Reduced:

O3N4H18C24 (1)

Stoich.:

A3B4C18D24 (1)

Weight, g/mol:

392.182144

ΔHf, kcal/mol:

86.27

Dipole, Da:

4.22

IP(EA), eV:

 -8.26(-1.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

S-(fluoromethyl) (8S,9S,10R,13S,14S,16R,17S)-3-hydroxy-10,13,16-trimethyl-1-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-17-carbothioate

Drug info:

PubChemData

Smile

COC1=CC\2=C(C=C1)NC(=O)/C2=C\C3=CC4=C(C=C3)/C(=C/C=C/5\C=CC=CN5O)/N=N4

DOS

IR

Vibrations