Geometry & MOs

Info

ID:	282402
PubChem CID:	103925603
Reduced:	NSO3C12H19 (1)
Stoich.:	ABC3D12E19 (1)
Weight, g/mol:	213.136493
ΔH_f, kcal/mol:	-140.46
Dipole, Da:	7.45
IP(EA), eV:	-8.99(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-2-(2-methylbut-2-enoylamino)pentanoic acid

Drug info:

PubChemData

Smile

C1CC(C1)CC(=O)N2CCSCC2CC(=O)O

DOS

IR

Vibrations