Geometry & MOs

Info

ID:

144506

PubChem CID:

53378721

Reduced:

FSN3O5C30H32 (1)

Stoich.:

ABC3D5E30F32 (1)

Weight, g/mol:

448.122356

ΔHf, kcal/mol:

-186.61

Dipole, Da:

4.7

IP(EA), eV:

 -8.86(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[5-[(1S)-1-(2-chlorophenyl)-2-methoxy-2-oxoethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)N(CCN(C1=C(C=C2C(=C1)OC(=C2C(=O)NC)C3=CC=C(C=C3)F)C4=CC=CC=C4)S(=O)(=O)C)C(=O)C

DOS

IR

Vibrations