Geometry & MOs

Info

ID:

239857

PubChem CID:

93167122

Reduced:

SN2O4C30H36 (1)

Stoich.:

AB2C4D30E36 (1)

Weight, g/mol:

522.235242

ΔHf, kcal/mol:

-119.28

Dipole, Da:

1.53

IP(EA), eV:

 -8.61(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations