Geometry & MOs

Info

ID:	120839
PubChem CID:	50746887
Reduced:	SN4O4C24H24 (1)
Stoich.:	AB4C4D24E24 (1)
Weight, g/mol:	475.156577
ΔH_f, kcal/mol:	-97.25
Dipole, Da:	8.62
IP(EA), eV:	-9.06(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-methoxy-4-prop-2-ynoxyphenyl)-1-methyl-2-[(3-methylphenyl)methylsulfanyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CSC2=NC(=O)C3=C(N2C)NC(=O)CC3C4=CC=C(C=C4)OCC(=O)N

DOS

IR

Vibrations