Geometry & MOs

Info

ID:	244486
PubChem CID:	99355722
Reduced:	SO2F3N6H13C14 (1)
Stoich.:	AB2C3D6E13F14 (1)
Weight, g/mol:	411.190654
ΔH_f, kcal/mol:	-127.89
Dipole, Da:	9.32
IP(EA), eV:	-9.57(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methoxypyridin-2-yl)-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=CN1C)S(=O)(=O)NC2=C(C=CC(=C2)C(F)(F)F)N3C=NC=N3

DOS

IR

Vibrations