Geometry & MOs

Info

ID:	53953
PubChem CID:	14718452
Reduced:	OSiN2F3C8H13 (1)
Stoich.:	ABC2D3E8F13 (1)
Weight, g/mol:	399.259356
ΔH_f, kcal/mol:	-218.27
Dipole, Da:	6.48
IP(EA), eV:	-10.03(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)oxy-dimethylsilyl]propanenitrile

Drug info:

PubChemData

Smile

CN(C(=O)C(F)(F)F)[Si](C)(C)CCC#N

DOS

IR

Vibrations