Geometry & MOs

Info

ID:

308913

PubChem CID:

126531843

Reduced:

ClFO2N8H30C31 (1)

Stoich.:

ABC2D8E30F31 (1)

Weight, g/mol:

555.181901

ΔHf, kcal/mol:

4.27

Dipole, Da:

4.14

IP(EA), eV:

 -8.62(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(3E)-3-[4-(3-fluoro-5-hydroxyphenyl)pyrrolo[3,2-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[4,3-b]pyridin-5-yl]pyridin-3-yl]-2-phenylacetamide

Drug info:

PubChemData

Smile

CC1=C(C(=C2C=C(C=CC2=N1)C3=CN=C(N=C3)N4CCN(CC4)CC(=O)O)NC(C)C5=C(C=CC(=C5)C6=CNN=C6)F)Cl

DOS

IR

Vibrations