Geometry & MOs

Info

ID:

378397

PubChem CID:

134224477

Reduced:

FN3O4C37H40 (1)

Stoich.:

AB3C4D37E40 (1)

Weight, g/mol:

617.235971

ΔHf, kcal/mol:

-169.48

Dipole, Da:

4.17

IP(EA), eV:

 -8.48(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[3-[(1-ethenylcyclohexyl)carbamoyl]phenyl]-6-[ethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C1=C(C=C2C(=C1)OC(=C2C(=O)NC)C3=CC=C(C=C3)F)C4=CC(=CC=C4)C(=O)NC56C[C@H]7C[C@@H](C5)CC(C7)(C6)O

DOS

IR

Vibrations