Geometry & MOs

Info

ID:	225622
PubChem CID:	85856731
Reduced:	SCl2N4H8C11 (2)
Stoich.:	AB2C4D8E11 (2)
Weight, g/mol:	301.045588
ΔH_f, kcal/mol:	209.16
Dipole, Da:	9.5
IP(EA), eV:	-9.14(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-6-thiomorpholin-4-ylthieno[2,3-b]pyridine-2,5-dicarbonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=NN=C3N2NC4C(S3)C(C5C(C4Cl)SC6=NN=C(N6N5)C7=CC=CC=C7Cl)Cl)Cl

DOS

IR

Vibrations