Geometry & MOs

Info

ID:	124601
PubChem CID:	50889172
Reduced:	BrSN4O4C16H17 (1)
Stoich.:	ABC4D4E16F17 (1)
Weight, g/mol:	252.03017
ΔH_f, kcal/mol:	-114.76
Dipole, Da:	10.03
IP(EA), eV:	-8.6(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(5-chloro-2-methoxyphenyl)-1H-pyrazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NN)C2=CC=CC=C2Br

DOS

IR

Vibrations