Geometry & MOs

Info

ID:	425230
PubChem CID:	135125580
Reduced:	SF2O4N6C24H24 (1)
Stoich.:	AB2C4D6E24F24 (1)
Weight, g/mol:	466.101953
ΔH_f, kcal/mol:	-76.29
Dipole, Da:	7.81
IP(EA), eV:	-9.25(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-chloro-5-(propanoylamino)phenyl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NO1)COC2=NC=C(N=C2)/C(=C/C3=CC(=C(C=C3)F)[C@@]4(C5(CC5)S(=O)(=O)N(C(=N4)N)C)C)/F

DOS

IR

Vibrations