Geometry & MOs

Info

ID:

448102

PubChem CID:

135288488

Reduced:

SN2O3C16H26 (1)

Stoich.:

AB2C3D16E26 (1)

Weight, g/mol:

557.17577

ΔHf, kcal/mol:

-164.72

Dipole, Da:

6.35

IP(EA), eV:

 -8.43(-0.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[3-[(2Z)-2-[5-[5-(dimethylamino)pyridin-3-yl]-1,2-dihydropyrazolo[4,3-b]pyridin-3-ylidene]imidazo[4,5-c]pyridin-4-yl]-5-fluorophenyl]methyl]methanesulfonamide

Drug info:

PubChemData

Smile

CC1(CC2=C(C(O1)(C)C)SC(=C2C(=O)N)NCC(C)(C)O)C

DOS

IR

Vibrations