Geometry & MOs

Info

ID:	13937
PubChem CID:	400237
Reduced:	PN2O3H23C24 (1)
Stoich.:	AB2C3D23E24 (1)
Weight, g/mol:	418.14463
ΔH_f, kcal/mol:	-83.77
Dipole, Da:	7.44
IP(EA), eV:	-9.69(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1C(OP(=O)(N1CC2=CC=CC=C2)OC(C#N)C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations