Geometry & MOs

Info

ID:	446546
PubChem CID:	135275858
Reduced:	ClINSC6H7 (1)
Stoich.:	ABCDE6F7 (1)
Weight, g/mol:	343.091201
ΔH_f, kcal/mol:	42.48
Dipole, Da:	1.71
IP(EA), eV:	-8.34(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)C1=C(SC=C1Cl)I

DOS

IR

Vibrations