Geometry & MOs

Info

ID:	48652
PubChem CID:	11110282
Reduced:	PO4N5C12H20 (1)
Stoich.:	AB4C5D12E20 (1)
Weight, g/mol:	328.14018
ΔH_f, kcal/mol:	-182.17
Dipole, Da:	3.24
IP(EA), eV:	-8.62(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-2-(2-bromoethynyl)-3-tridecyloxirane

Drug info:

PubChemData

Smile

C[C@@H](CN1C=NC2=C(N=CN=C21)NC(C)C)OCP(=O)(O)O

DOS

IR

Vibrations