Geometry & MOs

Info

ID:	314062
PubChem CID:	126620219
Reduced:	FNOC11H16 (1)
Stoich.:	ABCD11E16 (1)
Weight, g/mol:	372.9975
ΔH_f, kcal/mol:	-85.43
Dipole, Da:	3.32
IP(EA), eV:	-8.97(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)F)O[C@@H](C)CNC

DOS

IR

Vibrations