Geometry & MOs

Info

ID:	52508
PubChem CID:	12015392
Reduced:	ClS2N3O4C20H22 (1)
Stoich.:	AB2C3D4E20F22 (1)
Weight, g/mol:	463.123563
ΔH_f, kcal/mol:	-137.41
Dipole, Da:	3.39
IP(EA), eV:	-8.9(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(SC2=C1CCN(C2)C(=O)OCC)NC(=S)NC3=CC=CC=C3Cl

DOS

IR

Vibrations