Geometry & MOs

Info

ID:

432863

PubChem CID:

135173000

Reduced:

FSO3N9H26C28 (1)

Stoich.:

ABC3D9E26F28 (1)

Weight, g/mol:

498.138657

ΔHf, kcal/mol:

35.15

Dipole, Da:

7.78

IP(EA), eV:

 -8.88(-2.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

cyclopropyl-[[5-[(3Z)-4-fluoro-3-(7-thiophen-2-ylimidazo[4,5-c]pyridin-2-ylidene)-1,2-dihydropyrazolo[3,4-c]pyridin-5-yl]pyridin-3-yl]amino]methanol

Drug info:

PubChemData

Smile

CCC(NC1=CN=CC(=C1)C2=NC=C3C(=C2)/C(=C\4/N=C5C=NC=C(C5=N4)C6=CC(=CC(=C6)CNS(=O)(=O)C)F)/NN3)O

DOS

IR

Vibrations