Geometry & MOs

Info

ID:

444626

PubChem CID:

135263041

Reduced:

NOC10H11 (3)

Stoich.:

ABC10D11 (3)

Weight, g/mol:

533.234828

ΔHf, kcal/mol:

-73.1

Dipole, Da:

4.74

IP(EA), eV:

 -8.73(-0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(5-methylfuran-2-yl)-(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]-1-(2-methylsulfonyl-1,3-dihydroisoindol-5-yl)cyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

CC1(C(=O)NC2=C(O1)C=C(C=C2)CC(=O)NC(C3=CC=CC=C3)C4=CC=CC=C4N5CCCCC5)C

DOS

IR

Vibrations