Geometry & MOs

Info

ID:	67420
PubChem CID:	46506448
Reduced:	SO2N3C16H23 (1)
Stoich.:	AB2C3D16E23 (1)
Weight, g/mol:	435.12642
ΔH_f, kcal/mol:	-60.03
Dipole, Da:	4.69
IP(EA), eV:	-8.61(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C(=S)NC2=CC=CC=C2C(=O)OCC

DOS

IR

Vibrations