Geometry & MOs

Info

ID:	333624
PubChem CID:	127252176
Reduced:	ON4C27H30 (1)
Stoich.:	AB4C27D30 (1)
Weight, g/mol:	446.129173
ΔH_f, kcal/mol:	20.68
Dipole, Da:	3.15
IP(EA), eV:	-8.96(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[2-(4-chloroanilino)pyridin-4-yl]-1H-pyrazol-5-yl]-N,N-dimethylpyrrolidine-1-sulfonamide

Drug info:

PubChemData

Smile

CC1=C2CCC(=O)N(C2=NC(=N1)C3CCN(C3)CC4=CC=CC=C4)CCC5=CC=CC=C5

DOS

IR

Vibrations