Geometry & MOs

Info

ID:	157607
PubChem CID:	56436018
Reduced:	BrO3N4C21H27 (1)
Stoich.:	AB3C4D21E27 (1)
Weight, g/mol:	455.199111
ΔH_f, kcal/mol:	-86.11
Dipole, Da:	3.97
IP(EA), eV:	-9.14(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-ditert-butylpyrazol-3-yl)-4-(pyridin-4-ylsulfamoyl)benzamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=NN(C(=C1)NC(=O)CN2C(=O)COC3=C2C=CC(=C3)Br)C(C)(C)C

DOS

IR

Vibrations