Geometry & MOs

Info

ID:

300452

PubChem CID:

121283636

Reduced:

Cl2F2N2S2O3H14C22 (1)

Stoich.:

A2B2C2D2E3F14G22 (1)

Weight, g/mol:

693.42272

ΔHf, kcal/mol:

-149.51

Dipole, Da:

2.75

IP(EA), eV:

 -9.0(-1.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[5-tert-butyl-2-[1-[2-[ethyl(methyl)amino]ethyl]pyrazol-4-yl]pyrazol-3-yl]-3-[4-[[3-(2-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]urea

Drug info:

PubChemData

Smile

CS(=O)(=O)NC1=C(C=C2C(=C1)C=C(S2)C(=O)NC3=CC(=CC(=C3)C4=C(C=C(C=C4)F)F)Cl)Cl

DOS

IR

Vibrations