Geometry & MOs

Info

ID:

448041

PubChem CID:

135287904

Reduced:

FO2N5C25H26 (1)

Stoich.:

AB2C5D25E26 (1)

Weight, g/mol:

535.098207

ΔHf, kcal/mol:

-23.35

Dipole, Da:

5.46

IP(EA), eV:

 -9.76(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2Z)-4-(5-chlorothiophen-2-yl)-2-[5-(5-phenylmethoxypyridin-3-yl)-1,2-dihydropyrazolo[4,3-b]pyridin-3-ylidene]imidazo[4,5-c]pyridine

Drug info:

PubChemData

Smile

CC(CNC(=O)C1=CN=CC(=N1)[C@]23CC[C@H](C2(C)C)C4=CC(=NN=C34)C5=CC=CC=C5F)O

DOS

IR

Vibrations