Geometry & MOs

Info

ID:	141235
PubChem CID:	52844876
Reduced:	SF3O4N5H14C17 (1)
Stoich.:	AB3C4D5E14F17 (1)
Weight, g/mol:	402.17102
ΔH_f, kcal/mol:	-183.51
Dipole, Da:	12.51
IP(EA), eV:	-9.61(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-3-[3-(3,4-dimethylphenoxy)propanoylamino]-N-methyl-N-propan-2-ylbenzamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)S(=O)(=O)C(F)(F)F)NC(=O)CC2=CC=C(C=C2)N3C=NN=N3

DOS

IR

Vibrations