Geometry & MOs

Info

ID:	404667
PubChem CID:	135068962
Reduced:	NO2Cl3H16C18 (1)
Stoich.:	AB2C3D16E18 (1)
Weight, g/mol:	467.222546
ΔH_f, kcal/mol:	-34.03
Dipole, Da:	4.99
IP(EA), eV:	-9.5(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopentyl-2-[(1R,5S)-3-diphenoxyphosphoryl-5-propan-2-yl-3-azabicyclo[3.1.0]hexan-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2CN2C(=O)O[C@H](C3=CC=CC=C3)C(Cl)(Cl)Cl

DOS

IR

Vibrations