Geometry & MOs

Info

ID:	43426
PubChem CID:	10321276
Reduced:	BrFN2O4H14C20 (1)
Stoich.:	ABC2D4E14F20 (1)
Weight, g/mol:	444.03208
ΔH_f, kcal/mol:	-127.02
Dipole, Da:	4.64
IP(EA), eV:	-9.89(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[(2R)-2-[4-(7-bromoquinolin-2-yl)oxyphenoxy]propanoyl]amino] acetate

Drug info:

PubChemData

Smile

COC(=O)C1(C2=CC=CC=C2C(=O)N(C1=O)CC3=C(C=C(C=C3)Br)F)CC#N

DOS

IR

Vibrations