Geometry & MOs

Info

ID:	382516
PubChem CID:	134973726
Reduced:	SF3O5C16H19 (1)
Stoich.:	AB3C5D16E19 (1)
Weight, g/mol:	408.193674
ΔH_f, kcal/mol:	-288.31
Dipole, Da:	2.67
IP(EA), eV:	-9.52(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S)-3',5'-dimethyl-6-(1-phenylmethoxypropan-2-yl)spiro[2,3,5,6-tetrahydrocyclopenta[e][1,4]dioxepine-8,4'-cyclohexa-2,5-diene]-1',7-dione

Drug info:

PubChemData

Smile

CC(COCC1=CC=CC=C1)C#CCOCCOS(=O)(=O)C(F)(F)F

DOS

IR

Vibrations