Geometry & MOs

Info

ID:	157622
PubChem CID:	56436143
Reduced:	N3O3C22H29 (1)
Stoich.:	A3B3C22D29 (1)
Weight, g/mol:	420.219512
ΔH_f, kcal/mol:	-84.0
Dipole, Da:	6.79
IP(EA), eV:	-8.48(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-ditert-butylpyrazol-3-yl)-3-(propylsulfonylamino)benzamide

Drug info:

PubChemData

Smile

CC1=C(C2=C(O1)C=CC(=C2)OC)C(=O)NC3=CC(=NN3C(C)(C)C)C(C)(C)C

DOS

IR

Vibrations