Geometry & MOs

Info

ID:	155100
PubChem CID:	56320686
Reduced:	OF3N8C19H23 (1)
Stoich.:	AB3C8D19E23 (1)
Weight, g/mol:	398.141262
ΔH_f, kcal/mol:	-88.44
Dipole, Da:	10.43
IP(EA), eV:	-9.53(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(benzenesulfonamido)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CCCNC(=O)C2CCN(CC2)C3=NN4C(=NN=C4C(F)(F)F)C=C3

DOS

IR

Vibrations