Geometry & MOs

Info

ID:	245572
PubChem CID:	99453916
Reduced:	FO2N5C18H20 (1)
Stoich.:	AB2C5D18E20 (1)
Weight, g/mol:	436.103911
ΔH_f, kcal/mol:	-18.18
Dipole, Da:	5.61
IP(EA), eV:	-9.05(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide

Drug info:

PubChemData

Smile

CCCC1=NOC(=N1)CCC(=O)NC2=CC(=NN2C3=CC=CC=C3F)C

DOS

IR

Vibrations