Geometry & MOs

Info

ID:	37153
PubChem CID:	8017588
Reduced:	NCl2O4H11C15 (1)
Stoich.:	AB2C4D11E15 (1)
Weight, g/mol:	299.067284
ΔH_f, kcal/mol:	-121.69
Dipole, Da:	2.95
IP(EA), eV:	-9.2(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 6-chloropyridine-3-carboxylate

Drug info:

PubChemData

Smile

C1C2=C(C(=CC(=C2)Cl)COC(=O)C3=CN=C(C=C3)Cl)OCO1

DOS

IR

Vibrations