Geometry & MOs

Info

ID:	46988
PubChem CID:	10528777
Reduced:	ClSN3O7C20H20 (1)
Stoich.:	ABC3D7E20F20 (1)
Weight, g/mol:	481.99152
ΔH_f, kcal/mol:	-205.01
Dipole, Da:	5.0
IP(EA), eV:	-9.48(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,3S,4S,5S,6R)-7,7-dibromo-3-methyl-4,5-bis(phenylmethoxy)-2-oxabicyclo[4.1.0]heptane

Drug info:

PubChemData

Smile

C/C(=N\OCC1=CC=CC=C1Cl)/C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)COC(=O)C)C(=O)O

DOS

IR

Vibrations