Geometry & MOs

Info

ID:	64554
PubChem CID:	29202854
Reduced:	ClSN4O6C20H21 (1)
Stoich.:	ABC4D6E20F21 (1)
Weight, g/mol:	452.197904
ΔH_f, kcal/mol:	-200.62
Dipole, Da:	6.03
IP(EA), eV:	-9.37(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CN(CCN1C(=O)COC(=O)C2=CC=C(C=C2)NC(=O)N)S(=O)(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations