Geometry & MOs

Info

ID:	277797
PubChem CID:	103831026
Reduced:	N2O3C16H26 (1)
Stoich.:	A2B3C16D26 (1)
Weight, g/mol:	288.110791
ΔH_f, kcal/mol:	-133.1
Dipole, Da:	4.23
IP(EA), eV:	-8.35(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-N-[2-(difluoromethylsulfanyl)phenyl]hexanamide

Drug info:

PubChemData

Smile

CCCC[C@@H](C(=O)NC1=C(C=CC(=C1)OCC)OCC)N

DOS

IR

Vibrations