Geometry & MOs

Info

ID:	77590
PubChem CID:	49655582
Reduced:	ClFN2O2H14C18 (1)
Stoich.:	ABC2D2E14F18 (1)
Weight, g/mol:	386.98884
ΔH_f, kcal/mol:	-48.44
Dipole, Da:	3.75
IP(EA), eV:	-9.02(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[(4-bromophenyl)sulfamoyl]-5-ethyl-1H-pyrazole-4-carboxylate

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)F)C2=NN(C(=O)C=C2)CC3=CC(=CC=C3)Cl

DOS

IR

Vibrations