Geometry & MOs

Info

ID:	37157
PubChem CID:	8017605
Reduced:	NS2O3C15H15 (1)
Stoich.:	AB2C3D15E15 (1)
Weight, g/mol:	334.072035
ΔH_f, kcal/mol:	-50.39
Dipole, Da:	2.63
IP(EA), eV:	-8.86(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl] 6-chloropyridine-3-carboxylate

Drug info:

PubChemData

Smile

CN(C)C(=O)COC(=O)/C(=C/C1=CC=CS1)/C2=CC=CS2

DOS

IR

Vibrations