Geometry & MOs

Info

ID:

239175

PubChem CID:

93166090

Reduced:

ClFSN2O3C27H28 (1)

Stoich.:

ABCD2E3F27G28 (1)

Weight, g/mol:

486.138006

ΔHf, kcal/mol:

-110.2

Dipole, Da:

4.93

IP(EA), eV:

 -9.25(-0.58)

Spin(Sz, 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-(2-methylpropyl)furan-2-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations