Geometry & MOs

Info

ID:	175794
PubChem CID:	75948468
Reduced:	O3N4H20C22 (1)
Stoich.:	A3B4C20D22 (1)
Weight, g/mol:	361.146013
ΔH_f, kcal/mol:	44.85
Dipole, Da:	4.43
IP(EA), eV:	-9.33(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(1-ethyl-3,5-dimethylpyrazol-4-yl)prop-2-enoyl]-N,N-dimethylbenzenesulfonamide

Drug info:

PubChemData

Smile

C1CCN(C(C1)C2=NC(=NO2)C3=CC=CC=C3)C(=O)CC4=NOC5=CC=CC=C54

DOS

IR

Vibrations