Geometry & MOs

Info

ID:	432879
PubChem CID:	135173016
Reduced:	O2C3H3 (2)
Stoich.:	A2B3C3 (2)
Weight, g/mol:	619.192563
ΔH_f, kcal/mol:	-91.83
Dipole, Da:	2.61
IP(EA), eV:	-9.18(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-fluoro-5-[(2Z)-2-[4-fluoro-5-[5-(1-hydroxybutylamino)pyridin-3-yl]-1,2-dihydropyrazolo[3,4-c]pyridin-3-ylidene]imidazo[4,5-c]pyridin-7-yl]phenyl]methyl]methanesulfonamide

Drug info:

PubChemData

Smile

C1C(=O)C2C(O1)C(=CO2)O

DOS

IR

Vibrations