Geometry & MOs

Info

ID:	245570
PubChem CID:	99453910
Reduced:	FO2N4H17C21 (1)
Stoich.:	AB2C4D17E21 (1)
Weight, g/mol:	385.126026
ΔH_f, kcal/mol:	-1.34
Dipole, Da:	5.6
IP(EA), eV:	-8.91(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]-3-(4-methoxyphenyl)sulfanylpropanamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)NC(=O)CC2=COC(=N2)C3=CC=CC=C3)C4=CC=CC=C4F

DOS

IR

Vibrations