Geometry & MOs

Info

ID:	13936
PubChem CID:	400231
Reduced:	PN2O4C24H27 (1)
Stoich.:	AB2C4D24E27 (1)
Weight, g/mol:	438.170844
ΔH_f, kcal/mol:	-163.17
Dipole, Da:	7.27
IP(EA), eV:	-9.54(-0.26)
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-(3-oxocyclohexyl)-2-phenylacetonitrile

Drug info:

PubChemData

Smile

CC1C(OP(=O)(N1C)OC(C#N)(C2CCCC(=O)C2)C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations