Geometry & MOs

Info

ID:	308531
PubChem CID:	125333413
Reduced:	F2N3O6H19C23 (1)
Stoich.:	A2B3C6D19E23 (1)
Weight, g/mol:	282.198365
ΔH_f, kcal/mol:	-265.91
Dipole, Da:	6.61
IP(EA), eV:	-9.86(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8R,9R,10R)-10,17,17-trimethyl-6,7,8,9,11,12,15,16-octahydrocyclopenta[a]phenanthren-3-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)NC2=NC(=O)N(C=C2)[C@H]3C([C@H]([C@H](O3)CO)OC(=O)C4=CC=CC=C4)(F)F

DOS

IR

Vibrations