Geometry & MOs

Info

ID:	277806
PubChem CID:	103831043
Reduced:	ClON2C14H21 (1)
Stoich.:	ABC2D14E21 (1)
Weight, g/mol:	313.146013
ΔH_f, kcal/mol:	-59.48
Dipole, Da:	3.48
IP(EA), eV:	-9.48(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-N-[4-methyl-3-(methylsulfamoyl)phenyl]hexanamide

Drug info:

PubChemData

Smile

CCCC[C@@H](C(=O)NCCC1=CC(=CC=C1)Cl)N

DOS

IR

Vibrations