Geometry & MOs

Info

ID:

444543

PubChem CID:

135262792

Reduced:

BrSN2O6H23C24 (1)

Stoich.:

ABC2D6E23F24 (1)

Weight, g/mol:

468.241293

ΔHf, kcal/mol:

-141.29

Dipole, Da:

5.75

IP(EA), eV:

 -8.83(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-N-[(2,4-dimethylphenyl)-(5-methylfuran-2-yl)methyl]cyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(O1)C(C2=C(C=C(C=C2)OC)Br)NC(=O)C3(CC3)C4=CC5=C(C=C4)NS(=O)(=O)CO5

DOS

IR

Vibrations