Geometry & MOs

Info

ID:	52507
PubChem CID:	12015391
Reduced:	KS2O3N4C12H13 (1)
Stoich.:	AB2C3D4E12F13 (1)
Weight, g/mol:	467.074026
ΔH_f, kcal/mol:	-130.02
Dipole, Da:	7.5
IP(EA), eV:	-8.02(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)N1CCC2=C(C1)SC3=NC(=S)N(C(=C23)[O-])N.[K+]

DOS

IR

Vibrations