Geometry & MOs

Info

ID:

376449

PubChem CID:

134222462

Reduced:

ClFIO3N5H26C33 (1)

Stoich.:

ABCD3E5F26G33 (1)

Weight, g/mol:

625.30529

ΔHf, kcal/mol:

-28.41

Dipole, Da:

11.6

IP(EA), eV:

 -8.98(-2.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[3-[(1-benzyl-4-cyanopiperidin-4-yl)carbamoyl]phenyl]-6-(ethylamino)-N-methyl-2-(4-methylphenyl)-1-benzofuran-3-carboxamide

Drug info:

PubChemData

Smile

CC(=O)C1=CN(C2=C1C=C(C=C2)C3=CN=CN=C3)CC(=O)N4[C@@H](CCC4I)C(=O)NC5=CC=CC(=C5F)C6=CC=CC=C6Cl

DOS

IR

Vibrations