Geometry & MOs

Info

ID:	298870
PubChem CID:	117662022
Reduced:	ON5H23C26 (1)
Stoich.:	AB5C23D26 (1)
Weight, g/mol:	288.20893
ΔH_f, kcal/mol:	96.26
Dipole, Da:	4.3
IP(EA), eV:	-9.07(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)C2(CN(N=C2)CC3=CC(=CC=C3)C(=O)N)C4=CC5=C(C=C4)N=CC=C5

DOS

IR

Vibrations