Geometry & MOs

Info

ID:

239940

PubChem CID:

93167212

Reduced:

SN2O5C29H32 (1)

Stoich.:

AB2C5D29E32 (1)

Weight, g/mol:

506.203942

ΔHf, kcal/mol:

-125.39

Dipole, Da:

5.32

IP(EA), eV:

 -8.82(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC(=O)N1CCC2=C([C@H]1COC3=CC=C(C=C3)C(C)C)C=CS2)C(=O)C4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations