Geometry & MOs

Info

ID:	223665
PubChem CID:	85335389
Reduced:	OSN2F4C25H26 (1)
Stoich.:	ABC2D4E25F26 (1)
Weight, g/mol:	478.283158
ΔH_f, kcal/mol:	-201.52
Dipole, Da:	3.05
IP(EA), eV:	-8.81(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-benzylcyclopentyl)methyl N-[1,2-dioxo-1-(1-phenylethylamino)heptan-3-yl]carbamate

Drug info:

PubChemData

Smile

C1CCN(CC1)CCCN2C(SC(=CC3=CC(=CC=C3)F)C2=O)C4=CC(=CC=C4)C(F)(F)F

DOS

IR

Vibrations