Geometry & MOs

Info

ID:	81462
PubChem CID:	49854754
Reduced:	BrN4O4C16H17 (1)
Stoich.:	AB4C4D16E17 (1)
Weight, g/mol:	390.133948
ΔH_f, kcal/mol:	-108.37
Dipole, Da:	5.86
IP(EA), eV:	-9.32(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COCCN1C2=CC(=O)N=C(N2)CC(=O)NC3=C(C(=CC=C3)Br)O

DOS

IR

Vibrations