Geometry & MOs

Info

ID:	244131
PubChem CID:	99319085
Reduced:	BrF2N3O3H20C21 (1)
Stoich.:	AB2C3D3E20F21 (1)
Weight, g/mol:	382.089576
ΔH_f, kcal/mol:	-185.33
Dipole, Da:	5.68
IP(EA), eV:	-8.82(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[(2S)-2-(2-chlorophenoxy)propanoyl]amino]ethyl]-2,4-difluorobenzamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)N2C[C@@H](CC2=O)C(=O)NCCNC(=O)C3=C(C=C(C=C3)F)F)Br

DOS

IR

Vibrations