Geometry & MOs

Info

ID:

308923

PubChem CID:

126531873

Reduced:

ClFSO2N3H27C28 (1)

Stoich.:

ABCD2E3F27G28 (1)

Weight, g/mol:

520.213536

ΔHf, kcal/mol:

-47.0

Dipole, Da:

7.75

IP(EA), eV:

 -8.43(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC=C1F)NC2=C3C=C(C=CC3=NC=C2Cl)C4=CC=C(C=C4)C5(CCC5)NS(=O)(=O)C

DOS

IR

Vibrations