Geometry & MOs

Info

ID:

311318

PubChem CID:

126590424

Reduced:

NH26C33 (2)

Stoich.:

AB26C33 (2)

Weight, g/mol:

513.147075

ΔHf, kcal/mol:

259.29

Dipole, Da:

0.51

IP(EA), eV:

 -7.93(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[2-(1H-imidazol-5-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-methylphenyl]-N'-(2-methoxyphenyl)propanediamide

Drug info:

PubChemData

Smile

C1CC2C(C=C1)C3=C(N2C4=CC=CC=C4)C=CC(=C3)C5=CC=C(C=C5)C6=CC7=C(C=C6)N(C8=C7C=C(C=C8)[C@@H](C9=CC=CC=C9)C(C1=CC=CC=C1)C1=CC=CC=C1)C1CC=C2C=CC=CC2=C1

DOS

IR

Vibrations