Geometry & MOs

Info

ID:	70831
PubChem CID:	48413928
Reduced:	FO2N3H18C19 (1)
Stoich.:	AB2C3D18E19 (1)
Weight, g/mol:	405.147075
ΔH_f, kcal/mol:	-46.41
Dipole, Da:	5.56
IP(EA), eV:	-9.24(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-acetylpiperazin-1-yl)sulfonyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)C2=CC(=CC=C2)OCC3=CC=C(C=C3)F

DOS

IR

Vibrations