Geometry & MOs

Info

ID:	261813
PubChem CID:	103252732
Reduced:	SO2N3C14H21 (1)
Stoich.:	AB2C3D14E21 (1)
Weight, g/mol:	284.209993
ΔH_f, kcal/mol:	-60.3
Dipole, Da:	6.1
IP(EA), eV:	-8.66(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-acetamido-3-[2-(4-methylcyclohexyl)ethylamino]propanoate

Drug info:

PubChemData

Smile

CN1C2CCCC1CC(C2)NCC3=CSC(=N3)C(=O)O

DOS

IR

Vibrations