Geometry & MOs

Info

ID:	63381
PubChem CID:	26758213
Reduced:	BrFN2O5H14C19 (1)
Stoich.:	ABC2D5E14F19 (1)
Weight, g/mol:	452.143073
ΔH_f, kcal/mol:	-188.64
Dipole, Da:	6.34
IP(EA), eV:	-9.34(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-fluorophenyl)-N-[4-[(E)-3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)prop-1-enyl]-1,3-thiazol-2-yl]acetamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=C(C=C(C=C1)Br)F)OC(=O)CN2C(=O)C3=CC=CC=C3C2=O

DOS

IR

Vibrations