Geometry & MOs

Info

ID:	165029
PubChem CID:	74487461
Reduced:	ClSN4O4H13C16 (1)
Stoich.:	ABC4D4E13F16 (1)
Weight, g/mol:	438.161329
ΔH_f, kcal/mol:	-43.62
Dipole, Da:	12.09
IP(EA), eV:	-9.58(-2.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl] 1-(3-phenylprop-2-enoyl)piperidine-4-carboxylate

Drug info:

PubChemData

Smile

CN(CC(=O)NC1=CC2=NC(=O)N=C2C=C1)S(=O)(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations