Geometry & MOs

Info

ID:

297870

PubChem CID:

117635634

Reduced:

ClSO2N4C16H23 (1)

Stoich.:

ABC2D4E16F23 (1)

Weight, g/mol:

622.220318

ΔHf, kcal/mol:

-32.02

Dipole, Da:

5.32

IP(EA), eV:

 -9.06(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[1-[1-[[3-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridin-5-yl]benzoyl]amino]cyclobutyl]ethenyl]methanimidate

Drug info:

PubChemData

Smile

CCC1C=NN(C1CC)C(=NCC)NS(=O)(=O)C2=CC(=CC=C2)Cl

DOS

IR

Vibrations