Geometry & MOs

Info

ID:	52776
PubChem CID:	12015939
Reduced:	PN2O4C8H14 (1)
Stoich.:	AB2C4D8E14 (1)
Weight, g/mol:	221.045309
ΔH_f, kcal/mol:	-149.81
Dipole, Da:	6.7
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.879031
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R,5S,6R)-2-amino-6-phosphonobicyclo[3.1.0]hexane-2-carboxylic acid

Drug info:

PubChemData

Smile

COP(=O)(/C=C/CC/C(=C/[N+]#N)/O)OC

DOS

IR

Vibrations