Geometry & MOs

Info

ID:

376450

PubChem CID:

134222463

Reduced:

O3N5C39H39 (1)

Stoich.:

A3B5C39D39 (1)

Weight, g/mol:

508.247441

ΔHf, kcal/mol:

0.27

Dipole, Da:

2.98

IP(EA), eV:

 -8.08(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[3-[(2-cyano-2-methylpropyl)carbamoyl]phenyl]-6-(ethylamino)-N-methyl-2-(4-methylphenyl)-1-benzofuran-3-carboxamide

Drug info:

PubChemData

Smile

CCNC1=C(C=C2C(=C1)OC(=C2C(=O)NC)C3=CC=C(C=C3)C)C4=CC(=CC=C4)C(=O)NC5(CCN(CC5)CC6=CC=CC=C6)C#N

DOS

IR

Vibrations