Geometry & MOs

Info

ID:	62680
PubChem CID:	26732720
Reduced:	OSN2F3H17C20 (1)
Stoich.:	ABC2D3E17F20 (1)
Weight, g/mol:	279.147058
ΔH_f, kcal/mol:	-136.52
Dipole, Da:	5.12
IP(EA), eV:	-9.37(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] furan-2-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=CS2)CC(=O)NCCC3=CC=C(C=C3)C(F)(F)F

DOS

IR

Vibrations