Geometry & MOs

Info

ID:	245558
PubChem CID:	99453867
Reduced:	FO3N5C21H24 (1)
Stoich.:	AB3C5D21E24 (1)
Weight, g/mol:	409.070797
ΔH_f, kcal/mol:	-121.69
Dipole, Da:	5.42
IP(EA), eV:	-8.86(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(difluoromethylsulfonyl)-N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]benzamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)NC(=O)CCCN2C(=O)C3(CCCC3)NC2=O)C4=CC=CC=C4F

DOS

IR

Vibrations