Geometry & MOs

Info

ID:	153459
PubChem CID:	56312675
Reduced:	BrO3N4H19C23 (1)
Stoich.:	AB3C4D19E23 (1)
Weight, g/mol:	446.159946
ΔH_f, kcal/mol:	-43.36
Dipole, Da:	8.85
IP(EA), eV:	-9.09(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(diethylsulfamoyl)phenyl]methyl]-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)C2=CC=C(C=C2)C(=O)NC3=CC=CC(=C3)C(=O)NC4=NC=C(C=C4)Br

DOS

IR

Vibrations