Geometry & MOs

Info

ID:	141138
PubChem CID:	52823161
Reduced:	SO2F3N4H15C21 (1)
Stoich.:	AB2C3D4E15F21 (1)
Weight, g/mol:	304.215078
ΔH_f, kcal/mol:	-127.01
Dipole, Da:	5.07
IP(EA), eV:	-8.69(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[methyl-[(2R)-pentan-2-yl]amino]-2-oxoethyl]-3-(4-methylphenyl)propanamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=C(N2CC(=O)NC3=CC=C(C=C3)NC(=O)C4=CC=CS4)C(F)(F)F

DOS

IR

Vibrations