Geometry & MOs

Info

ID:

145141

PubChem CID:

53469037

Reduced:

O3N4C23H28 (2)

Stoich.:

A3B4C23D28 (2)

Weight, g/mol:

484.216221

ΔHf, kcal/mol:

-189.44

Dipole, Da:

4.91

IP(EA), eV:

 -8.48(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(4-fluorophenyl)-N-methyl-5-[3-[(4-methylcyclohexyl)carbamoyl]phenyl]-1-benzofuran-3-carboxamide

Drug info:

PubChemData

Smile

C[C@H]1C[C@H](N(C1)C(=O)[C@H](C(C)C)NC(=O)OC)C2=NC3=C(N2)C=C(C=C3)C4=CC=C(C=C4)C5=CC=C(C=C5)C6=CN=C(N6)[C@H]7C[C@@H](CN7C(=O)[C@H](C(C)C)NC(=O)OC)C

DOS

IR

Vibrations