Geometry & MOs

Info

ID:	309482
PubChem CID:	126546546
Reduced:	ClF3S3N4O4H18C20 (1)
Stoich.:	AB3C3D4E4F18G20 (1)
Weight, g/mol:	285.116507
ΔH_f, kcal/mol:	-235.06
Dipole, Da:	8.15
IP(EA), eV:	-8.75(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-fluorophenyl)ethyl]-N-formyl-2-methylbenzamide

Drug info:

PubChemData

Smile

C1C[C@H](N(C1)S(=O)(=O)C2=CC=C(S2)Cl)C(=O)N[C@H](C3=NC(=CS3)C4=CC=C(C=C4)OC(F)(F)F)N

DOS

IR

Vibrations