Geometry & MOs

Info

ID:	277769
PubChem CID:	103830891
Reduced:	SN3O3C13H21 (1)
Stoich.:	AB3C3D13E21 (1)
Weight, g/mol:	186.173213
ΔH_f, kcal/mol:	-118.62
Dipole, Da:	4.99
IP(EA), eV:	-10.05(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-N-methyl-N-propan-2-ylhexanamide

Drug info:

PubChemData

Smile

CCCC[C@@H](C(=O)NCC1=CC=C(C=C1)S(=O)(=O)N)N

DOS

IR

Vibrations