Geometry & MOs

Info

ID:	277823
PubChem CID:	103831103
Reduced:	SO2N3C14H19 (1)
Stoich.:	AB2C3D14E19 (1)
Weight, g/mol:	286.112899
ΔH_f, kcal/mol:	-85.32
Dipole, Da:	6.85
IP(EA), eV:	-8.44(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-N-(2,2-difluoro-1,3-benzodioxol-5-yl)hexanamide

Drug info:

PubChemData

Smile

CCCC[C@@H](C(=O)NC1=CC2=C(C=C1)SCC(=O)N2)N

DOS

IR

Vibrations