Geometry & MOs

Info

ID:

239888

PubChem CID:

93167157

Reduced:

SN2O3C31H38 (1)

Stoich.:

AB2C3D31E38 (1)

Weight, g/mol:

518.260314

ΔHf, kcal/mol:

-86.52

Dipole, Da:

4.9

IP(EA), eV:

 -8.6(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2S)-butan-2-yl]-4-methyl-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

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

DOS

IR

Vibrations