Geometry & MOs

Info

ID:	282981
PubChem CID:	103950275
Reduced:	OSN2C11H18 (1)
Stoich.:	ABC2D11E18 (1)
Weight, g/mol:	196.157563
ΔH_f, kcal/mol:	-2.13
Dipole, Da:	2.8
IP(EA), eV:	-8.74(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-2-amino-3-methyl-N-pent-4-yn-2-ylpentanamide

Drug info:

PubChemData

Smile

C#CCSCCNC(=O)C1CCNCC1

DOS

IR

Vibrations