Geometry & MOs

Info

ID:	157557
PubChem CID:	56435686
Reduced:	SN4O4C26H34 (1)
Stoich.:	AB4C4D26E34 (1)
Weight, g/mol:	460.160283
ΔH_f, kcal/mol:	-115.23
Dipole, Da:	10.92
IP(EA), eV:	-8.48(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-ditert-butylpyrazol-3-yl)-4-(thiophen-2-ylsulfonylamino)benzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC(=NN3C(C)(C)C)C(C)(C)C)OC

DOS

IR

Vibrations