Geometry & MOs

Info

ID:	171592
PubChem CID:	75399978
Reduced:	BrSO2N3C14H18 (1)
Stoich.:	ABC2D3E14F18 (1)
Weight, g/mol:	386.98884
ΔH_f, kcal/mol:	-35.97
Dipole, Da:	6.98
IP(EA), eV:	-8.78(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[(5-bromo-1-methylpyrazol-3-yl)sulfamoyl]phenyl]propanoic acid

Drug info:

PubChemData

Smile

CC(C)CC1=CC=C(C=C1)S(=O)(=O)NC2=NN(C(=C2)Br)C

DOS

IR

Vibrations