Geometry & MOs

Info

ID:	208044
PubChem CID:	80485199
Reduced:	ClSO2N3C12H12 (1)
Stoich.:	ABC2D3E12F12 (1)
Weight, g/mol:	325.065176
ΔH_f, kcal/mol:	-33.26
Dipole, Da:	5.0
IP(EA), eV:	-8.96(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[(2-chlorophenyl)methyl]-3-propylsulfanylpyrazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CCSC1=NN(C(=C1C(=O)O)N)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations