Geometry & MOs

Info

ID:	380991
PubChem CID:	134971609
Reduced:	NO5C12H15 (1)
Stoich.:	AB5C12D15 (1)
Weight, g/mol:	368.144616
ΔH_f, kcal/mol:	-111.28
Dipole, Da:	7.26
IP(EA), eV:	-10.21(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1'-[[(S)-(4-methylphenyl)sulfinyl]methyl]spiro[1,5-dihydro-2,4-benzodioxepine-3,4'-cyclohexene]

Drug info:

PubChemData

Smile

COC[C@@H]1CCO[C@@H](O1)C2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations