Geometry & MOs

Info

ID:	196514
PubChem CID:	78839673
Reduced:	NF3O4H16C17 (1)
Stoich.:	AB3C4D16E17 (1)
Weight, g/mol:	422.02775
ΔH_f, kcal/mol:	-271.48
Dipole, Da:	2.64
IP(EA), eV:	-9.3(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[4-[(2-bromo-5-fluorobenzoyl)amino]benzoyl]amino]propanoate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)O)OCC(=O)NCC2=CC=C(C=C2)OCC(F)(F)F

DOS

IR

Vibrations