Geometry & MOs

Info

ID:	61543
PubChem CID:	26710359
Reduced:	SN2O6C24H32 (1)
Stoich.:	AB2C6D24E32 (1)
Weight, g/mol:	342.174356
ΔH_f, kcal/mol:	-212.67
Dipole, Da:	2.69
IP(EA), eV:	-8.43(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-tert-butyl-N-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]benzamide

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H](CN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NCCOC3=CC=C(C=C3)OC)OC)C

DOS

IR

Vibrations