Geometry & MOs

Info

ID:

239207

PubChem CID:

93166141

Reduced:

ClFSN2O4C26H26 (1)

Stoich.:

ABCD2E4F26G26 (1)

Weight, g/mol:

516.128584

ΔHf, kcal/mol:

-139.09

Dipole, Da:

3.31

IP(EA), eV:

 -8.95(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[(4S)-4-[(4-chlorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-3-fluoro-N-(2-methoxyethyl)benzamide

Drug info:

PubChemData

Smile

COCCN(CC(=O)N1CCC2=C([C@@H]1COC3=CC=C(C=C3)Cl)C=CS2)C(=O)C4=CC(=CC=C4)F

DOS

IR

Vibrations