Geometry & MOs

Info

ID:

239815

PubChem CID:

93167065

Reduced:

SN2O4C30H36 (1)

Stoich.:

AB2C4D30E36 (1)

Weight, g/mol:

520.239579

ΔHf, kcal/mol:

-111.13

Dipole, Da:

1.97

IP(EA), eV:

 -8.49(-0.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)OC[C@@H]2C3=C(CCN2C(=O)CN(CCOC)C(=O)CC4=CC=CC=C4)SC=C3

DOS

IR

Vibrations