Geometry & MOs

Info

ID:	213908
PubChem CID:	81065539
Reduced:	NSO3C11H15 (1)
Stoich.:	ABC3D11E15 (1)
Weight, g/mol:	313.119319
ΔH_f, kcal/mol:	-117.19
Dipole, Da:	3.07
IP(EA), eV:	-9.48(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[[(E)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)prop-2-enoyl]amino]methyl]pentanoic acid

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC(=O)C1=CSC=C1

DOS

IR

Vibrations