Geometry & MOs

Info

ID:	158356
PubChem CID:	56463491
Reduced:	ClSN3O3C20H24 (1)
Stoich.:	ABC3D3E20F24 (1)
Weight, g/mol:	418.236876
ΔH_f, kcal/mol:	-68.41
Dipole, Da:	4.23
IP(EA), eV:	-8.9(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[cyclopropyl(methyl)amino]propyl]-3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(CNC(=O)C1=CC=CC=C1NS(=O)(=O)C2=CC=C(C=C2)Cl)N(C)C3CC3

DOS

IR

Vibrations