Geometry & MOs

Info

ID:	13935
PubChem CID:	400228
Reduced:	PN2O3C18H19 (1)
Stoich.:	AB2C3D18E19 (1)
Weight, g/mol:	342.113329
ΔH_f, kcal/mol:	-109.61
Dipole, Da:	5.14
IP(EA), eV:	-9.76(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3,4-dimethyl-2-oxo-5-phenyl-1,3,2lambda5-oxazaphospholidin-2-yl)oxy]-2-phenylacetonitrile

Drug info:

PubChemData

Smile

CC1C(OP(=O)(N1C)OC(C#N)C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations