Geometry & MOs

Info

ID:	448497
PubChem CID:	135291367
Reduced:	O4C13H16 (2)
Stoich.:	A4B13C16 (2)
Weight, g/mol:	334.250795
ΔH_f, kcal/mol:	-305.23
Dipole, Da:	3.7
IP(EA), eV:	-8.81(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(10R,13S)-17-[(1R)-1-hydroxyethyl]-10,13-dimethyl-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-diol

Drug info:

PubChemData

Smile

CC(=O)OCC(COC1=CC=CC(=C1)C(C)(C)C2=CC(=CC=C2)OCC(COC(=O)C=C)O)O

DOS

IR

Vibrations