Geometry & MOs

Info

ID:	33392
PubChem CID:	7886231
Reduced:	OS3N4H14C17 (1)
Stoich.:	AB3C4D14E17 (1)
Weight, g/mol:	394.092204
ΔH_f, kcal/mol:	50.96
Dipole, Da:	5.22
IP(EA), eV:	-8.66(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methyl-2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanylmethyl)pyrido[1,2-a]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C3=C(S2)N=CN=C3SCC4=CC(=O)N5C=CSC5=N4

DOS

IR

Vibrations