Geometry & MOs

Info

ID:	277301
PubChem CID:	103827715
Reduced:	OSN3C16H23 (1)
Stoich.:	ABC3D16E23 (1)
Weight, g/mol:	259.135448
ΔH_f, kcal/mol:	-23.88
Dipole, Da:	3.32
IP(EA), eV:	-8.54(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-(2-methylsulfanylcyclohexyl)butanediamide

Drug info:

PubChemData

Smile

CSCCCCNC(=O)[C@H](CC1=CNC2=CC=CC=C21)N

DOS

IR

Vibrations