Geometry & MOs

Info

ID:	63479
PubChem CID:	26758460
Reduced:	NF2O3C17H21 (1)
Stoich.:	AB2C3D17E21 (1)
Weight, g/mol:	325.14895
ΔH_f, kcal/mol:	-226.32
Dipole, Da:	1.56
IP(EA), eV:	-9.82(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1CCCCCC1)OC(=O)C2=C(C=C(C=C2)F)F

DOS

IR

Vibrations