Geometry & MOs

Info

ID:	120835
PubChem CID:	50746689
Reduced:	ClSN4O4H19C22 (1)
Stoich.:	ABC4D4E19F22 (1)
Weight, g/mol:	435.161663
ΔH_f, kcal/mol:	-98.59
Dipole, Da:	7.01
IP(EA), eV:	-9.11(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-methylphenyl)methylsulfanyl]-5-(2-propoxyphenyl)-1,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione

Drug info:

PubChemData

Smile

C1C(C2=C(NC1=O)NC(=NC2=O)SCC3=CC(=CC=C3)Cl)C4=CC=C(C=C4)OCC(=O)N

DOS

IR

Vibrations