Geometry & MOs

Info

ID:	389462
PubChem CID:	134993115
Reduced:	SN2O4C11H22 (1)
Stoich.:	AB2C4D11E22 (1)
Weight, g/mol:	184.109944
ΔH_f, kcal/mol:	-207.11
Dipole, Da:	5.75
IP(EA), eV:	-9.6(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-hydroperoxy-2-prop-1-en-2-ylcycloheptan-1-one

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC[C@@H]1CNS(=O)(=O)C

DOS

IR

Vibrations