Geometry & MOs

Info

ID:	79983
PubChem CID:	49831971
Reduced:	SF4O4H16C19 (1)
Stoich.:	AB4C4D16E19 (1)
Weight, g/mol:	462.240624
ΔH_f, kcal/mol:	-307.04
Dipole, Da:	3.0
IP(EA), eV:	-9.64(-1.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3S,5R,7R,8R)-1-benzoyl-8-hydroxy-6,6-dimethyl-3,5-bis(3-methylbut-2-enyl)adamantane-2,4,9-trione

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)/C=C/C1=C(C(=C(C(=C1F)F)C2=CC=C(S2)C(=O)OC)F)F

DOS

IR

Vibrations