Geometry & MOs

Info

ID:	140204
PubChem CID:	52662775
Reduced:	SCl2N3O3C17H17 (1)
Stoich.:	AB2C3D3E17F17 (1)
Weight, g/mol:	438.206719
ΔH_f, kcal/mol:	-81.34
Dipole, Da:	2.49
IP(EA), eV:	-9.28(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-1-[4-(3,5-dimethylpyrazol-1-yl)-3-fluoroanilino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide

Drug info:

PubChemData

Smile

C1CCN(CC1)S(=O)(=O)C2=CC=CC=C2NC(=O)C3=C(C=CC(=N3)Cl)Cl

DOS

IR

Vibrations