Geometry & MOs

Info

ID:

443884

PubChem CID:

135260287

Reduced:

FSO3N8H25C33 (1)

Stoich.:

ABC3D8E25F33 (1)

Weight, g/mol:

442.157581

ΔHf, kcal/mol:

74.8

Dipole, Da:

10.17

IP(EA), eV:

 -8.64(-2.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[5-[(2E)-2-(5-piperidin-4-yl-1,2-dihydropyrazolo[4,3-b]pyridin-3-ylidene)pyrrolo[3,2-c]pyridin-4-yl]thiophen-2-yl]ethanone

Drug info:

PubChemData

Smile

CS(=O)(=O)C(C1=CC(=CC(=C1)C2=NC=CC3=N/C(=C/4\C5=C(C=CC(=N5)C6=CC(=CN=C6)NC(=O)C7=CC=CC=C7)NN4)/C=C32)F)N

DOS

IR

Vibrations