Geometry & MOs

Info

ID:	176079
PubChem CID:	75992154
Reduced:	ClSN2O3C18H19 (1)
Stoich.:	ABC2D3E18F19 (1)
Weight, g/mol:	440.072819
ΔH_f, kcal/mol:	-42.3
Dipole, Da:	3.98
IP(EA), eV:	-8.71(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-[C-(2,5-dichlorophenyl)-N-ethoxycarbonimidoyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] butanoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations