Geometry & MOs

Info

ID:	297100
PubChem CID:	117608847
Reduced:	ClFO2N3C16H17 (1)
Stoich.:	ABC2D3E16F17 (1)
Weight, g/mol:	407.141197
ΔH_f, kcal/mol:	-90.64
Dipole, Da:	2.81
IP(EA), eV:	-8.71(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[(1R)-1-[[(2S)-4-amino-4-oxobutan-2-yl]amino]propyl]-6-chloro-2-fluorophenoxy]benzamide

Drug info:

PubChemData

Smile

CC[C@H](C1=C(C(=C(C=C1)Cl)OC2=CC=C(C=C2)NC(=O)N)F)N

DOS

IR

Vibrations