Geometry & MOs

Info

ID:	307935
PubChem CID:	125310795
Reduced:	ON2C4H5 (2)
Stoich.:	AB2C4D5 (2)
Weight, g/mol:	402.313395
ΔH_f, kcal/mol:	21.78
Dipole, Da:	4.39
IP(EA), eV:	-9.35(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R,8R,9R,10R,13S,14S)-5',5',13-triethylspiro[1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxane]-17-one

Drug info:

PubChemData

Smile

C1=C[C@H](C(=O)N=C1)C2=N[C@@H](ON2)CN

DOS

IR

Vibrations