Geometry & MOs

Info

ID:	36512
PubChem CID:	8007764
Reduced:	SN2F3O3C16H19 (1)
Stoich.:	AB2C3D3E16F19 (1)
Weight, g/mol:	348.092163
ΔH_f, kcal/mol:	-244.11
Dipole, Da:	5.27
IP(EA), eV:	-9.51(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-acetamidoanilino)-2-oxoethyl] 3,5-difluorobenzoate

Drug info:

PubChemData

Smile

C=CCNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CC=C2C(F)(F)F

DOS

IR

Vibrations