Geometry & MOs

Info

ID:

321574

PubChem CID:

126666631

Reduced:

FO2N4H17C19 (1)

Stoich.:

AB2C4D17E19 (1)

Weight, g/mol:

810.318652

ΔHf, kcal/mol:

3.61

Dipole, Da:

2.79

IP(EA), eV:

 -9.31(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-tert-butyl-4-[[2-[ethylsulfonyl(methyl)amino]phenyl]methylamino]-6-[5-fluoro-4-phenylmethoxy-2-(2,2,2-trifluoroethyl)phenyl]-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1COCCC1N2C(=NC3=CN=C4C=CC(=CC4=C32)F)CC5=NOC=C5

DOS

IR

Vibrations