Geometry & MOs

Info

ID:	243877
PubChem CID:	99300559
Reduced:	ClSN3O3C21H22 (1)
Stoich.:	ABC3D3E21F22 (1)
Weight, g/mol:	445.084007
ΔH_f, kcal/mol:	-36.84
Dipole, Da:	5.58
IP(EA), eV:	-8.4(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(4-methoxyphenoxy)ethylsulfanyl]-1-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)OCCSCC(=O)NC2=CC=NN2CC3=CC(=CC=C3)Cl

DOS

IR

Vibrations