Geometry & MOs

Info

ID:	209587
PubChem CID:	80690850
Reduced:	NSO4C15H21 (1)
Stoich.:	ABC4D15E21 (1)
Weight, g/mol:	309.078327
ΔH_f, kcal/mol:	-168.84
Dipole, Da:	5.59
IP(EA), eV:	-9.81(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-phenylpropylsulfonylamino)-1H-pyrazole-5-carboxylic acid

Drug info:

PubChemData

Smile

CC(CS(=O)(=O)N1CCCC1(C)C(=O)O)C2=CC=CC=C2

DOS

IR

Vibrations