Geometry & MOs

Info

ID:	52505
PubChem CID:	12015389
Reduced:	S2O3N4H16C19 (1)
Stoich.:	A2B3C4D16E19 (1)
Weight, g/mol:	372.092597
ΔH_f, kcal/mol:	-23.86
Dipole, Da:	3.89
IP(EA), eV:	-8.9(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-(aminocarbamothioylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate

Drug info:

PubChemData

Smile

CCOC(=O)N1CCC2=C(C1)SC3=C2C(=O)N4C(=N3)SC(=N4)C5=CC=CC=C5

DOS

IR

Vibrations