Geometry & MOs

Info

ID:	205488
PubChem CID:	80110184
Reduced:	OSN3C12H17 (1)
Stoich.:	ABC3D12E17 (1)
Weight, g/mol:	286.189257
ΔH_f, kcal/mol:	29.06
Dipole, Da:	1.97
IP(EA), eV:	-9.29(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-2-[[[methyl(oxan-4-yl)carbamoyl]amino]methyl]pentanoic acid

Drug info:

PubChemData

Smile

CC(C)CC(CN)C1=NC(=NO1)C2=CC=CS2

DOS

IR

Vibrations