Geometry & MOs

Info

ID:	244207
PubChem CID:	99319360
Reduced:	ClF2N3O3C21H22 (1)
Stoich.:	AB2C3D3E21F22 (1)
Weight, g/mol:	390.139113
ΔH_f, kcal/mol:	-201.41
Dipole, Da:	2.59
IP(EA), eV:	-9.75(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-difluoro-N-[2-[[2-(4-propanoylphenoxy)acetyl]amino]ethyl]benzamide

Drug info:

PubChemData

Smile

CC(C)[C@H](C(=O)NCCNC(=O)C1=C(C=C(C=C1)F)F)NC(=O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations