Geometry & MOs

Info

ID:	244123
PubChem CID:	99319074
Reduced:	F2N3O3H23C24 (1)
Stoich.:	A2B3C3D23E24 (1)
Weight, g/mol:	441.130026
ΔH_f, kcal/mol:	-149.57
Dipole, Da:	2.54
IP(EA), eV:	-9.49(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-difluoro-N-[2-[[3-[(4-fluorobenzoyl)amino]benzoyl]amino]ethyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1OCC2=CN=CC=C2)C)C(=O)NCCNC(=O)C3=C(C=C(C=C3)F)F

DOS

IR

Vibrations