Geometry & MOs

Info

ID:	64247
PubChem CID:	29198671
Reduced:	SO2N3C25H27 (1)
Stoich.:	AB2C3D25E27 (1)
Weight, g/mol:	333.184112
ΔH_f, kcal/mol:	-44.67
Dipole, Da:	3.92
IP(EA), eV:	-9.06(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,4-dimethylphenyl)-1-phenyl-N-propan-2-ylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N[C@@H]4CCCC5=CC=CC=C45

DOS

IR

Vibrations