Geometry & MOs

Info

ID:

43303

PubChem CID:

10321020

Reduced:

FSO3N4H21C22 (1)

Stoich.:

ABC3D4E21F22 (1)

Weight, g/mol:

440.365431

ΔHf, kcal/mol:

-95.57

Dipole, Da:

4.23

IP(EA), eV:

 -8.84(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,8R,9S,10S,13R,14S,17R)-3-hydroxy-4,4,9,13,14-pentamethyl-17-[(2R)-6-methylhept-5-en-2-yl]-1,2,3,8,10,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-7-one

Drug info:

PubChemData

Smile

CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC3=C(C=C2)C4=C(CCC3)C(=NN4)C5=CSC(=C5)F

DOS

IR

Vibrations