Geometry & MOs

Info

ID:	128963
PubChem CID:	51064216
Reduced:	ON2F9H11C15 (1)
Stoich.:	AB2C9D11E15 (1)
Weight, g/mol:	346.214409
ΔH_f, kcal/mol:	-433.05
Dipole, Da:	8.17
IP(EA), eV:	-8.72(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2'R,16'R)-2',16'-dimethylspiro[1,3-dioxolane-2,4'-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecane]-13'-one

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)NC(=O)C=C(N2)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F

DOS

IR

Vibrations