Geometry & MOs

Info

ID:	213818
PubChem CID:	81065099
Reduced:	ClNSO3C14H18 (1)
Stoich.:	ABCD3E14F18 (1)
Weight, g/mol:	239.126991
ΔH_f, kcal/mol:	-140.52
Dipole, Da:	3.07
IP(EA), eV:	-9.02(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-(2-pyrazol-1-ylpropanoylamino)butanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)C(C)SC1=CC=C(C=C1)Cl

DOS

IR

Vibrations