Geometry & MOs

Info

ID:	446548
PubChem CID:	135275864
Reduced:	ISN2C5H7 (1)
Stoich.:	ABC2D5E7 (1)
Weight, g/mol:	315.042142
ΔH_f, kcal/mol:	43.7
Dipole, Da:	2.64
IP(EA), eV:	-9.44(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC(=C(S1)CN)I

DOS

IR

Vibrations