Geometry & MOs

Info

ID:	11844
PubChem CID:	121883
Reduced:	SN2O4C14H18 (1)
Stoich.:	AB2C4D14E18 (1)
Weight, g/mol:	310.098728
ΔH_f, kcal/mol:	-127.26
Dipole, Da:	7.1
IP(EA), eV:	-8.92(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)propane-1-sulfonic acid

Drug info:

PubChemData

Smile

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C)CS(=O)(=O)O

DOS

IR

Vibrations