Geometry & MOs

Info

ID:	70899
PubChem CID:	48414017
Reduced:	O2F3N7H14C15 (1)
Stoich.:	A2B3C7D14E15 (1)
Weight, g/mol:	336.125612
ΔH_f, kcal/mol:	-100.71
Dipole, Da:	4.76
IP(EA), eV:	-9.45(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)C2=C(N(N=C2)C3=NN=C(C=C3)OC)C(F)(F)F

DOS

IR

Vibrations