Geometry & MOs

Info

ID:	253237
PubChem CID:	103116970
Reduced:	O3N4C13H14 (1)
Stoich.:	A3B4C13D14 (1)
Weight, g/mol:	280.063011
ΔH_f, kcal/mol:	-53.78
Dipole, Da:	7.94
IP(EA), eV:	-9.87(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[(1-methylpyrazole-3-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid

Drug info:

PubChemData

Smile

C1CCN([C@@H](C1)C(=O)O)C(=O)C2=C3C=NC=CN3N=C2

DOS

IR

Vibrations