Geometry & MOs

Info

ID:	133659
PubChem CID:	51570701
Reduced:	OSN6C20H24 (1)
Stoich.:	ABC6D20E24 (1)
Weight, g/mol:	395.121158
ΔH_f, kcal/mol:	95.04
Dipole, Da:	5.25
IP(EA), eV:	-8.57(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

dimethylamino-[5-methyl-3-(3-morpholin-4-ylpropyl)-4-oxo-2-sulfanylidenethieno[2,3-d]pyrimidin-6-ylidene]methanolate

Drug info:

PubChemData

Smile

CN1C2=C(C(=CC(=N2)C3CC3)C4=NNC(=S)N4C[C@H]5CCCO5)C(=N1)C6CC6

DOS

IR

Vibrations