Geometry & MOs

Info

ID:	120838
PubChem CID:	50746847
Reduced:	ClSN3O3H20C23 (1)
Stoich.:	ABC3D3E20F23 (1)
Weight, g/mol:	464.151826
ΔH_f, kcal/mol:	-37.9
Dipole, Da:	3.7
IP(EA), eV:	-9.0(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[1-methyl-2-[(3-methylphenyl)methylsulfanyl]-4,7-dioxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-5-yl]phenoxy]acetamide

Drug info:

PubChemData

Smile

C=CCOC1=CC=CC=C1C2CC(=O)NC3=C2C(=O)N=C(N3)SCC4=CC=C(C=C4)Cl

DOS

IR

Vibrations