Geometry & MOs

Info

ID:	137780
PubChem CID:	52260710
Reduced:	S2N3O3C16H19 (1)
Stoich.:	A2B3C3D16E19 (1)
Weight, g/mol:	337.128255
ΔH_f, kcal/mol:	-76.46
Dipole, Da:	4.55
IP(EA), eV:	-9.22(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3-(2-methoxyethyl)-4,5-dimethylimidazole-2-thione

Drug info:

PubChemData

Smile

CCOC(=O)N[C@H]1CCCN(C1)C(=O)C2=CSC(=N2)C3=CSC=C3

DOS

IR

Vibrations