Geometry & MOs

Info

ID:

239804

PubChem CID:

93167046

Reduced:

SN2O4C26H36 (1)

Stoich.:

AB2C4D26E36 (1)

Weight, g/mol:

512.18035

ΔHf, kcal/mol:

-152.83

Dipole, Da:

1.45

IP(EA), eV:

 -8.6(-0.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations