Geometry & MOs

Info

ID:	187642
PubChem CID:	77602489
Reduced:	ClFO2N6C24H26 (1)
Stoich.:	ABC2D6E24F26 (1)
Weight, g/mol:	221.043656
ΔH_f, kcal/mol:	-71.46
Dipole, Da:	3.62
IP(EA), eV:	-9.25(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,4-dioxo-4aH-pyrido[3,2-d]pyrimidin-3-yl)acetic acid

Drug info:

PubChemData

Smile

CC1C2C(CC(C(=O)N2)C3=CC(=C(C=C3Cl)F)NC(=O)NC4=CC=CC(=C4)C#N)CNC1NC

DOS

IR

Vibrations