Geometry & MOs

Info

ID:	43966
PubChem CID:	10322504
Reduced:	O2N4C29H34 (1)
Stoich.:	A2B4C29D34 (1)
Weight, g/mol:	471.08759
ΔH_f, kcal/mol:	-18.73
Dipole, Da:	2.38
IP(EA), eV:	-8.62(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-fluoro-4-[5-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylpropanamide

Drug info:

PubChemData

Smile

CCC1=NC2=C(N1CC3=CC=C(C=C3)N(C(C)CC)C(C4=CC=CC=C4)C(=O)O)N=C(C=C2C)C

DOS

IR

Vibrations