Geometry & MOs

Info

ID:	214027
PubChem CID:	81065844
Reduced:	SO2N3C12H15 (1)
Stoich.:	AB2C3D12E15 (1)
Weight, g/mol:	284.09277
ΔH_f, kcal/mol:	-47.61
Dipole, Da:	3.89
IP(EA), eV:	-8.64(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-carbamoyl-4-chloroanilino)methyl]pentanoic acid

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC1=NC=NC2=C1SC=C2

DOS

IR

Vibrations