Geometry & MOs

Info

ID:	244202
PubChem CID:	99319353
Reduced:	F2O4N5H15C19 (1)
Stoich.:	A2B4C5D15E19 (1)
Weight, g/mol:	453.04996
ΔH_f, kcal/mol:	-88.76
Dipole, Da:	5.15
IP(EA), eV:	-9.92(-1.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C(=O)NCCNC(=O)C2=C(C=C(C=C2)F)F)[N+](=O)[O-])N3C=CN=C3

DOS

IR

Vibrations