Geometry & MOs

Info

ID:	120834
PubChem CID:	50746594
Reduced:	ClSN3O4H22C25 (1)
Stoich.:	ABC3D4E22F25 (1)
Weight, g/mol:	470.081554
ΔH_f, kcal/mol:	-32.6
Dipole, Da:	4.46
IP(EA), eV:	-8.34(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-[(3-chlorophenyl)methylsulfanyl]-4,7-dioxo-1,5,6,8-tetrahydropyrido[2,3-d]pyrimidin-5-yl]phenoxy]acetamide

Drug info:

PubChemData

Smile

CN1C2=C(C(CC(=O)N2)C3=CC(=C(C=C3)OCC#C)OC)C(=O)N=C1SCC4=CC=C(C=C4)Cl

DOS

IR

Vibrations