Geometry & MOs

Info

ID:

239780

PubChem CID:

93167018

Reduced:

SN2O4C31H38 (1)

Stoich.:

AB2C4D31E38 (1)

Weight, g/mol:

456.244664

ΔHf, kcal/mol:

-113.62

Dipole, Da:

6.1

IP(EA), eV:

 -8.94(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

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)C4=CC=C(C=C4)OC

DOS

IR

Vibrations