Geometry & MOs

Info

ID:	446543
PubChem CID:	135275818
Reduced:	ClINSC5H5 (1)
Stoich.:	ABCDE5F5 (1)
Weight, g/mol:	329.057792
ΔH_f, kcal/mol:	34.68
Dipole, Da:	3.05
IP(EA), eV:	-8.48(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[ethyl-[2-(2-hydroxyethylsulfanyl)ethyl]amino]-3-methylthieno[3,2-b]pyran-7-thione

Drug info:

PubChemData

Smile

CNC1=C(C=C(S1)I)Cl

DOS

IR

Vibrations