Geometry & MOs

Info

ID:	397645
PubChem CID:	135030516
Reduced:	O3C17H24 (1)
Stoich.:	A3B17C24 (1)
Weight, g/mol:	507.10789
ΔH_f, kcal/mol:	-107.36
Dipole, Da:	3.83
IP(EA), eV:	-9.27(0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(4S,5S)-6-bromo-2,2-dimethyl-1,3-dioxaspiro[4.5]dec-6-en-4-yl]prop-2-ynyl]-4-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide

Drug info:

PubChemData

Smile

C[C@@]12C[C@@]1(COC2)C3[C@H]4[C@@]5(C3=CCCC5)OC(O4)(C)C

DOS

IR

Vibrations