Geometry & MOs

Info

ID:	209524
PubChem CID:	80683274
Reduced:	SO3N5C12H15 (1)
Stoich.:	AB3C5D12E15 (1)
Weight, g/mol:	288.12224
ΔH_f, kcal/mol:	-54.73
Dipole, Da:	2.97
IP(EA), eV:	-9.5(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(1-methylpyrazol-4-yl)ethylcarbamoylamino]benzoic acid

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CCNC(=O)NCC2=NC(=CS2)C(=O)O

DOS

IR

Vibrations