Geometry & MOs

Info

ID:

315515

PubChem CID:

126627298

Reduced:

BrSN2F3O3H12C17 (1)

Stoich.:

ABC2D3E3F12G17 (1)

Weight, g/mol:

607.341007

ΔHf, kcal/mol:

-184.1

Dipole, Da:

8.56

IP(EA), eV:

 -8.87(-1.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-[6-methyl-2-[3-[5-methyl-2-(2-methylbut-3-enoxy)phenyl]phenyl]-4-(4-methyl-4-prop-2-enoxypiperidin-1-yl)pyrazolo[1,5-a]pyridin-5-yl]acetate

Drug info:

PubChemData

Smile

CC1=CN2C(=CC(=N2)C3=CC(=CC=C3)Br)C(=C1C(=O)C)OS(=O)C(F)(F)F

DOS

IR

Vibrations