Geometry & MOs

Info

ID:	277911
PubChem CID:	103831806
Reduced:	OSN2C13H26 (1)
Stoich.:	ABC2D13E26 (1)
Weight, g/mol:	244.160935
ΔH_f, kcal/mol:	-88.86
Dipole, Da:	3.14
IP(EA), eV:	-8.62(0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-N-[(2-methylthiolan-2-yl)methyl]hexanamide

Drug info:

PubChemData

Smile

CCCC[C@@H](C(=O)NC1CCCC(C1)SC)N

DOS

IR

Vibrations