Geometry & MOs

Info

ID:	405227
PubChem CID:	135073065
Reduced:	SN2O4C12H12 (2)
Stoich.:	AB2C4D12E12 (2)
Weight, g/mol:	344.235145
ΔH_f, kcal/mol:	-17.47
Dipole, Da:	10.91
IP(EA), eV:	-9.59(-1.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S)-1-[(1R,2R,5S)-2-prop-1-ynyl-6-oxabicyclo[3.1.0]hexan-3-yl]propyl] undec-9-ynoate

Drug info:

PubChemData

Smile

C=CCN(C1CC=C[C@H]1CN(CC#C)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

DOS

IR

Vibrations