Geometry & MOs

Info

ID:	42979
PubChem CID:	10317501
Reduced:	N4O5C18H26 (1)
Stoich.:	A4B5C18D26 (1)
Weight, g/mol:	378.184252
ΔH_f, kcal/mol:	-176.88
Dipole, Da:	2.49
IP(EA), eV:	-9.3(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(9R,10S,13S,17R)-9-fluoro-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-3,11-dione

Drug info:

PubChemData

Smile

CCOC(=O)/C(=N/NC(=O)C(CC1=CC=CC=C1)NC(=O)OC(C)(C)C)/N

DOS

IR

Vibrations