Geometry & MOs

Info

ID:	157929
PubChem CID:	56459051
Reduced:	SO2N6C21H28 (1)
Stoich.:	AB2C6D21E28 (1)
Weight, g/mol:	420.086829
ΔH_f, kcal/mol:	-18.83
Dipole, Da:	2.12
IP(EA), eV:	-8.77(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-5-methyl-1H-pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CN1C=NN=C1SCC(=O)NC2=CC=CC(=C2)C(=O)N3CCC(CC3)N4CCCC4

DOS

IR

Vibrations