Geometry & MOs

Info

ID:	245248
PubChem CID:	99438022
Reduced:	S2O3N6C20H22 (1)
Stoich.:	A2B3C6D20E22 (1)
Weight, g/mol:	468.146741
ΔH_f, kcal/mol:	3.01
Dipole, Da:	7.17
IP(EA), eV:	-9.2(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-cyclopentylpyrazol-3-yl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzamide

Drug info:

PubChemData

Smile

CCS(=O)(=O)N1CC2=CC=CC=C2C[C@@H]1C(=O)NC3=CC(=CC=C3)N4C(=NN=N4)SC

DOS

IR

Vibrations