Geometry & MOs

Info

ID:

239278

PubChem CID:

93166238

Reduced:

ClFSN2O3C27H28 (1)

Stoich.:

ABCD2E3F27G28 (1)

Weight, g/mol:

510.174392

ΔHf, kcal/mol:

-112.73

Dipole, Da:

3.75

IP(EA), eV:

 -8.9(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2S)-butan-2-yl]-N-[2-[(4R)-4-[(4-chlorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-phenylacetamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations