Geometry & MOs

Info

ID:	138432
PubChem CID:	52366472
Reduced:	SN2O2C13H20 (1)
Stoich.:	AB2C2D13E20 (1)
Weight, g/mol:	300.087685
ΔH_f, kcal/mol:	-59.89
Dipole, Da:	1.75
IP(EA), eV:	-8.62(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[(5-chloro-6-propan-2-yloxypyridine-3-carbonyl)amino]propanoate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)OC)N1CCN(CC1)CC2=CC=CS2

DOS

IR

Vibrations