Geometry & MOs

Info

ID:

239860

PubChem CID:

93167126

Reduced:

FSN2O3C30H35 (1)

Stoich.:

ABC2D3E30F35 (1)

Weight, g/mol:

494.223929

ΔHf, kcal/mol:

-123.84

Dipole, Da:

1.64

IP(EA), eV:

 -8.62(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

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)F

DOS

IR

Vibrations