Geometry & MOs

Info

ID:	290809
PubChem CID:	111123385
Reduced:	ClSO2N3C12H14 (1)
Stoich.:	ABC2D3E12F14 (1)
Weight, g/mol:	310.08097
ΔH_f, kcal/mol:	-17.26
Dipole, Da:	6.1
IP(EA), eV:	-9.19(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)ethoxy]ethanol

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Cl)N2C=NN=C2SCCOCCO

DOS

IR

Vibrations