Geometry & MOs

Info

ID:	176075
PubChem CID:	75992110
Reduced:	SCl2N2O3C20H22 (1)
Stoich.:	AB2C2D3E20F22 (1)
Weight, g/mol:	350.049191
ΔH_f, kcal/mol:	-62.49
Dipole, Da:	2.54
IP(EA), eV:	-8.39(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-[C-(2-chlorophenyl)-N-hydroxycarbonimidoyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] acetate

Drug info:

PubChemData

Smile

CCCC(=O)OC1=CC2=C(S1)CCN(C2)C(=NOC)C3=C(C(=C(C=C3)C)Cl)Cl

DOS

IR

Vibrations