Geometry & MOs

Info

ID:	446532
PubChem CID:	135275697
Reduced:	SO4N7C31H33 (1)
Stoich.:	AB4C7D31E33 (1)
Weight, g/mol:	343.091201
ΔH_f, kcal/mol:	-32.6
Dipole, Da:	10.11
IP(EA), eV:	-8.53(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-hydroxyethyl-[2-(2-methoxyethylsulfanyl)ethyl]amino]-3-methylthieno[3,2-b]pyran-7-one

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1C2=CSC3=C2OC(=CC3=O)N4CCOCC4)NC5=NC=C6C=C(N(C6=N5)C7CCCC7)C(=O)N(C)C

DOS

IR

Vibrations