Geometry & MOs

Info

ID:	80927
PubChem CID:	49853920
Reduced:	FN5O5C16H16 (1)
Stoich.:	AB5C5D16E16 (1)
Weight, g/mol:	376.118298
ΔH_f, kcal/mol:	-116.34
Dipole, Da:	5.21
IP(EA), eV:	-9.46(-1.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-5-[[2-(6-morpholin-4-yl-4-oxo-1H-pyrimidin-2-yl)acetyl]amino]benzoic acid

Drug info:

PubChemData

Smile

C1COCCN1C2=CC(=O)N=C(N2)CC(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-]

DOS

IR

Vibrations