Geometry & MOs

Info

ID:	63478
PubChem CID:	26758456
Reduced:	ClNO3F5H11C17 (1)
Stoich.:	ABC3D5E11F17 (1)
Weight, g/mol:	325.14895
ΔH_f, kcal/mol:	-345.31
Dipole, Da:	2.94
IP(EA), eV:	-9.42(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] 2,4-difluorobenzoate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=C(C=C(C=C1)Cl)C(F)(F)F)OC(=O)C2=C(C=C(C=C2)F)F

DOS

IR

Vibrations