Geometry & MOs

Info

ID:	427004
PubChem CID:	135154979
Reduced:	SO2N6C25H32 (1)
Stoich.:	AB2C6D25E32 (1)
Weight, g/mol:	408.021452
ΔH_f, kcal/mol:	-27.25
Dipole, Da:	7.35
IP(EA), eV:	-8.12(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(6-methoxypyridin-3-yl)-2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-one;dihydrochloride

Drug info:

PubChemData

Smile

CC(C)[C@H]1COC(=O)N1C2=NC(=NC3=C2SC=C3)NCCC4=CC=C(C=C4)NC5CCNCC5

DOS

IR

Vibrations