Geometry & MOs

Info

ID:	432356
PubChem CID:	135172489
Reduced:	FNO2C16H22 (1)
Stoich.:	ABC2D16E22 (1)
Weight, g/mol:	363.01315
ΔH_f, kcal/mol:	-108.18
Dipole, Da:	2.03
IP(EA), eV:	-8.98(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-[3-fluoro-5-[(2R)-1-(iodoamino)propan-2-yl]oxyphenyl]but-3-en-2-one

Drug info:

PubChemData

Smile

C[C@H](CNC)OC1=CC(=C(C=C1)F)/C=C/C(=O)C(C)C

DOS

IR

Vibrations