Geometry & MOs

Info

ID:	140919
PubChem CID:	52784202
Reduced:	ClF3N3O3H19C20 (1)
Stoich.:	AB3C3D3E19F20 (1)
Weight, g/mol:	414.07903
ΔH_f, kcal/mol:	-240.94
Dipole, Da:	4.98
IP(EA), eV:	-8.7(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-4-ethoxy-5-methoxy-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C(=O)COC3=C(C=CC(=C3)Cl)C(=O)N

DOS

IR

Vibrations