Geometry & MOs

Info

ID:	430328
PubChem CID:	135170392
Reduced:	Cl2O2N4C19H24 (1)
Stoich.:	A2B2C4D19E24 (1)
Weight, g/mol:	494.205085
ΔH_f, kcal/mol:	-25.76
Dipole, Da:	3.54
IP(EA), eV:	-8.82(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[1-(tert-butylsulfonylamino)-3,3-difluorocyclopentyl]-N-[(1R)-1-phenylethyl]carbamate

Drug info:

PubChemData

Smile

C/C(=C\N=C(C)N=C)/C(CNC(=O)C1=C(C(=CC=C1)Cl)Cl)N2CCOCC2

DOS

IR

Vibrations