Geometry & MOs

Info

ID:

239794

PubChem CID:

93167035

Reduced:

SN2O4C26H36 (1)

Stoich.:

AB2C4D26E36 (1)

Weight, g/mol:

472.239579

ΔHf, kcal/mol:

-147.71

Dipole, Da:

5.66

IP(EA), eV:

 -8.69(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-methoxy-N-(2-methylpropyl)-N-[2-oxo-2-[(4S)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]acetamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations