Geometry & MOs

Info

ID:	277814
PubChem CID:	103831062
Reduced:	SN3O3C13H21 (1)
Stoich.:	AB3C3D13E21 (1)
Weight, g/mol:	240.220164
ΔH_f, kcal/mol:	-124.72
Dipole, Da:	6.59
IP(EA), eV:	-8.93(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-N-methyl-N-(4-methylcyclohexyl)hexanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations