Geometry & MOs

Info

ID:	244166
PubChem CID:	99319148
Reduced:	FON2H10C11 (2)
Stoich.:	ABC2D10E11 (2)
Weight, g/mol:	366.094662
ΔH_f, kcal/mol:	-83.57
Dipole, Da:	4.55
IP(EA), eV:	-9.19(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[3-(2-chlorophenyl)propanoylamino]ethyl]-2,4-difluorobenzamide

Drug info:

PubChemData

Smile

C1CC2=C(C1)N(N=C2C(=O)NCCNC(=O)C3=C(C=C(C=C3)F)F)C4=CC=CC=C4

DOS

IR

Vibrations