Geometry & MOs

Info

ID:

448035

PubChem CID:

135287862

Reduced:

SN7H13C21 (1)

Stoich.:

AB7C13D21 (1)

Weight, g/mol:

556.160535

ΔHf, kcal/mol:

241.42

Dipole, Da:

8.45

IP(EA), eV:

 -8.59(-2.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[5-[(2Z)-2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-1,2-dihydropyrazolo[4,3-b]pyridin-3-ylidene]imidazo[4,5-c]pyridin-4-yl]thiophen-2-yl]ethanone

Drug info:

PubChemData

Smile

C1=CC(=NC\2=C1NN/C2=C\3/N=C4C=CN=C(C4=N3)C5=CSC=C5)C6=CC=NC=C6

DOS

IR

Vibrations