Geometry & MOs

Info

ID:	329519
PubChem CID:	126737767
Reduced:	SO4F5N5C26H26 (1)
Stoich.:	AB4C5D5E26F26 (1)
Weight, g/mol:	328.276616
ΔH_f, kcal/mol:	-342.44
Dipole, Da:	10.96
IP(EA), eV:	-9.14(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(10R,13S,14S,17R)-4,4,10,13,14,17-hexamethyl-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)NC1=C(N=CC(=C1)C(F)(F)F)COC(=O)N2CC3=C(C2)CN(C3)C(=O)C4=C(C(=C(C=C4)SN)F)F

DOS

IR

Vibrations