Geometry & MOs

Info

ID:	239218
PubChem CID:	93166154
Reduced:	ClSN2O5H23C26 (1)
Stoich.:	ABC2D5E23F26 (1)
Weight, g/mol:	458.106706
ΔH_f, kcal/mol:	-76.89
Dipole, Da:	5.65
IP(EA), eV:	-8.96(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(4R)-4-[(4-chlorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(furan-2-ylmethyl)acetamide

Drug info:

PubChemData

Smile

C1CN([C@@H](C2=C1SC=C2)COC3=CC=C(C=C3)Cl)C(=O)CN(CC4=CC=CO4)C(=O)C5=CC=CO5

DOS

IR

Vibrations