Geometry & MOs

Info

ID:

317281

PubChem CID:

126635370

Reduced:

N2O6H38C39 (1)

Stoich.:

A2B6C38D39 (1)

Weight, g/mol:

436.024904

ΔHf, kcal/mol:

-154.08

Dipole, Da:

5.8

IP(EA), eV:

 -9.49(-1.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-chloro-7-(6-chloro-5-fluoropyridin-3-yl)-4,5-dihydrothiepin-2-yl]-N,2-dimethyl-3-methylsulfinylpropanamide

Drug info:

PubChemData

Smile

CCCC(C)(CC)N1C(=O)C2=C(C1=O)C=C(C=C2)OC3=CC=C(C=C3)C(C)(C)C4=CC=C(C=C4)OC5=CC6=C(C=C5)C(=O)N(C6=O)C

DOS

IR

Vibrations