Geometry & MOs

Info

ID:	384767
PubChem CID:	134977631
Reduced:	P2N3O17C18H27 (1)
Stoich.:	A2B3C17D18E27 (1)
Weight, g/mol:	255.078932
ΔH_f, kcal/mol:	-729.7
Dipole, Da:	6.63
IP(EA), eV:	-10.25(-2.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethoxy-1-[methyl(propoxy)phosphoryl]-1,2lambda5-azaphosphetidine 2-oxide

Drug info:

PubChemData

Smile

CC(=O)N[C@H]1[C@H](O[C@@H]([C@@H]([C@@H]1O)O)CO)COP(=O)([O-])OP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O

DOS

IR

Vibrations