Geometry & MOs

Info

ID:	122570
PubChem CID:	50812765
Reduced:	ClN3O4H18C20 (1)
Stoich.:	AB3C4D18E20 (1)
Weight, g/mol:	417.089162
ΔH_f, kcal/mol:	-101.43
Dipole, Da:	4.31
IP(EA), eV:	-9.48(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[(2-chloro-6-fluorophenyl)methyl]-7-cyclopropyl-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CN1C2=C(C(=CC(=N2)C3CC3)C(=O)OC)C(=O)N(C1=O)CC4=CC=CC=C4Cl

DOS

IR

Vibrations