Geometry & MOs

Info

ID:	144243
PubChem CID:	53336978
Reduced:	SO5N6C26H38 (1)
Stoich.:	AB5C6D26E38 (1)
Weight, g/mol:	495.230411
ΔH_f, kcal/mol:	-166.21
Dipole, Da:	7.94
IP(EA), eV:	-8.55(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-1-ethyl-N-[(2-methylphenyl)methyl]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CCN1C=C(C(=N1)S(=O)(=O)N2CCN(CC2)C3=CC=CC(=C3C)C)C(=O)NC4CCN(CC4)C(=O)OCC

DOS

IR

Vibrations