Geometry & MOs

Info

ID:

239813

PubChem CID:

93167062

Reduced:

FSN2O4C29H33 (1)

Stoich.:

ABC2D4E29F33 (1)

Weight, g/mol:

498.255229

ΔHf, kcal/mol:

-156.31

Dipole, Da:

2.9

IP(EA), eV:

 -8.76(-0.47)

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]cyclopentanecarboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations