Geometry & MOs

Info

ID:	239448
PubChem CID:	93166507
Reduced:	ClSN2O4H23C24 (1)
Stoich.:	ABC2D4E23F24 (1)
Weight, g/mol:	470.106706
ΔH_f, kcal/mol:	-65.63
Dipole, Da:	5.24
IP(EA), eV:	-8.87(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(4S)-4-[(4-chlorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-prop-2-enylfuran-2-carboxamide

Drug info:

PubChemData

Smile

C=CCN(CC(=O)N1CCC2=C([C@@H]1COC3=CC=C(C=C3)Cl)C=CS2)C(=O)C4=CC=CO4

DOS

IR

Vibrations