Geometry & MOs

Info

ID:	239463
PubChem CID:	93166530
Reduced:	ClSN2O3C27H27 (1)
Stoich.:	ABC2D3E27F27 (1)
Weight, g/mol:	448.122356
ΔH_f, kcal/mol:	-41.51
Dipole, Da:	5.0
IP(EA), eV:	-9.22(-0.62)
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]-2-methoxy-N-prop-2-enylacetamide

Drug info:

PubChemData

Smile

C=CCN(CC(=O)N1CCC2=C([C@H]1COC3=CC=C(C=C3)Cl)C=CS2)C(=O)CC4=CC=CC=C4

DOS

IR

Vibrations