Geometry & MOs

Info

ID:	278021
PubChem CID:	103832782
Reduced:	OSN3C11H19 (1)
Stoich.:	ABC3D11E19 (1)
Weight, g/mol:	258.093519
ΔH_f, kcal/mol:	-39.76
Dipole, Da:	4.2
IP(EA), eV:	-9.55(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-N-(2-chloro-5-fluorophenyl)-4-methylpentanamide

Drug info:

PubChemData

Smile

CCCCC(C(=O)NCC1=NC=C(S1)C)N

DOS

IR

Vibrations