Geometry & MOs

Info

ID:	63310
PubChem CID:	26750564
Reduced:	ClNF3O4H15C18 (1)
Stoich.:	ABC3D4E15F18 (1)
Weight, g/mol:	319.178358
ΔH_f, kcal/mol:	-287.4
Dipole, Da:	6.46
IP(EA), eV:	-9.31(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] 3-methoxybenzoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations