Geometry & MOs

Info

ID:

448838

PubChem CID:

135293949

Reduced:

SO3N6C21H24 (1)

Stoich.:

AB3C6D21E24 (1)

Weight, g/mol:

722.33921

ΔHf, kcal/mol:

12.45

Dipole, Da:

5.75

IP(EA), eV:

 -8.16(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[2-[[3-(5-acetamido-4-methylpyridin-2-yl)-5-fluoro-4-methylbenzoyl]amino]cyclopropyl]-2-methylbutan-2-yl]-6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C/C=C\1/C=CC=C(/C1=C/C(=C)S(=O)(=O)O)NC[C@H]2CCCN2C3=NC=NC4=C3NC=N4

DOS

IR

Vibrations