Geometry & MOs

Info

ID:	37155
PubChem CID:	8017597
Reduced:	ClSN3O4H12C15 (1)
Stoich.:	ABC3D4E12F15 (1)
Weight, g/mol:	334.072035
ΔH_f, kcal/mol:	-95.31
Dipole, Da:	7.21
IP(EA), eV:	-9.35(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2=CN=C(C=C2)Cl

DOS

IR

Vibrations