Geometry & MOs

Info

ID:

449758

PubChem CID:

135301226

Reduced:

O5N6C44H62 (1)

Stoich.:

A5B6C44D62 (1)

Weight, g/mol:

430.00746

ΔHf, kcal/mol:

-224.9

Dipole, Da:

8.74

IP(EA), eV:

 -8.48(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(6-bromo-3-ethylsulfanylpyridin-2-yl)-3,4-dimethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine

Drug info:

PubChemData

Smile

CC(=O)OC(C)(C(=O)N[C@H](C1=NC=C(N1)C2=CC=C(C=C2)C3=CC=C(C=C3)C4=CN=C(N4)[C@H](C(C)(C)C)NC(=O)C(C)(C(C)(C)C)O)C(C)(C)C)C(C)(C)C

DOS

IR

Vibrations