Geometry & MOs

Info

ID:

419844

PubChem CID:

135109339

Reduced:

N3O3C19H24 (2)

Stoich.:

A3B3C19D24 (2)

Weight, g/mol:

419.184506

ΔHf, kcal/mol:

-245.44

Dipole, Da:

10.16

IP(EA), eV:

 -9.16(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(2-hydroxyethyl)-2-methyl-N-[(3-methylimidazol-4-yl)methyl]-5-phenylmethoxy-1-benzofuran-3-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)NCCCCN(CC2=CC=C(C=C2)C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CC(C)C)CC3=CC=CC=C3)C(=O)C4=C(C=C(NC4=O)C)C

DOS

IR

Vibrations