Geometry & MOs

Info

ID:	471
PubChem CID:	2806
Reduced:	ClNSO2C16H16 (1)
Stoich.:	ABCD2E16F16 (1)
Weight, g/mol:	321.059028
ΔH_f, kcal/mol:	-36.31
Dipole, Da:	1.87
IP(EA), eV:	-8.85(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(=O)C(C1=CC=CC=C1Cl)N2CCC3=C(C2)C=CS3

DOS

IR

Vibrations