Geometry & MOs

Info

ID:	40140
PubChem CID:	8143628
Reduced:	OSN5C17H19 (1)
Stoich.:	ABC5D17E19 (1)
Weight, g/mol:	207.046633
ΔH_f, kcal/mol:	60.95
Dipole, Da:	2.78
IP(EA), eV:	-8.48(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(methylsulfanylmethyl)pyrido[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C=CCN1C(=O)C2=CC=CC=C2N3C1=NN(C3=S)CN4CCCC4

DOS

IR

Vibrations